diff options
author | Norbert Preining <norbert@preining.info> | 2021-03-18 03:01:43 +0000 |
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committer | Norbert Preining <norbert@preining.info> | 2021-03-18 03:01:43 +0000 |
commit | ca17f652236af2ce3a16cb0125fb6e190d59cc17 (patch) | |
tree | 1664d8d4a3ba38eacabed5fe0e3d4ff7f2dd966c /graphics/pgf/contrib/pgf-spectra/pgf-spectra.sty | |
parent | bb51b61cfc3fcb367f52d31948039a1468fbcf80 (diff) |
CTAN sync 202103180301
Diffstat (limited to 'graphics/pgf/contrib/pgf-spectra/pgf-spectra.sty')
-rw-r--r-- | graphics/pgf/contrib/pgf-spectra/pgf-spectra.sty | 891 |
1 files changed, 585 insertions, 306 deletions
diff --git a/graphics/pgf/contrib/pgf-spectra/pgf-spectra.sty b/graphics/pgf/contrib/pgf-spectra/pgf-spectra.sty index b5fab0db7e..937360aed5 100644 --- a/graphics/pgf/contrib/pgf-spectra/pgf-spectra.sty +++ b/graphics/pgf/contrib/pgf-spectra/pgf-spectra.sty @@ -1,227 +1,289 @@ -% Hugo Gomes @ 15/04/2016 +% Hugo Gomes @ 15/04/2016 (v1.0) +% Hugo Gomes @ 15/03/2021 (v2.0.0) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \NeedsTeXFormat{LaTeX2e}% -\ProvidesPackage{pgf-spectra}[15/04/2016 pgf-spectra v1.0]% +\ProvidesPackage{pgf-spectra}[15/03/2021 pgf-spectra v2.0.0]% \RequirePackage{tikz}% -\RequirePackage{ifthen}% +\DeclareOption{LSE}{\input{./spectra.data.LSE.tex}}% +\DeclareOption{NIST}{\input{./spectra.data.NIST.tex}}% +\ExecuteOptions{NIST}% +\ProcessOptions\relax% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\newif\ifwlabsorption% -\newif\ifcurelemexist% -\newif\ifwldrawaxis% -\newif\ifwlaxislabel% -\newif\ifwlintensity% +\definecolor{wlIRcolor}{rgb}{.3157,.2373,.2373}% NEW +\definecolor{wlUVcolor}{rgb}{.3,.2568,.3}% NEW +% +\newif\ifwl@absorption% +\newif\ifcur@elem@exist% +\newif\ifwl@drawaxis% +\newif\ifwl@axislabel% +\newif\ifwl@intensity% +\newif\ifwl@redshift% NEW +\newif\ifwl@RSvalue% NEW % defining PGF keys \pgfkeys{/wl/.cd,% -element/.get=\wlelement,% -element/.store in=\wlelement,% +element/.get=\wl@element,% +element/.store in=\wl@element,% element/.default=NONE,% -width/.get=\wlwidth,% -width/.store in=\wlwidth,% -width/.default={0.9\textwidth}, -height/.get=\wlheight,% -height/.store in=\wlheight,% +width/.get=\wl@width,% +width/.store in=\wl@width,% +width/.default={0.9\textwidth},% +height/.get=\wl@height,% +height/.store in=\wl@height,% height/.default=1cm,% -back/.get=\wlback,% -back/.store in=\wlback,% +back/.get=\wl@back,% +back/.store in=\wl@back,% back/.default=black,% -charge/.get=\wlcharge,% -charge/.store in=\wlcharge,% +backIRUV/.get=\wl@backnotvisible,% NEW +backIRUV/.store in=\wl@backnotvisible,% NEW +backIRUV/.default=black,% NEW +IRcolor/.get=\wl@IRcolor,% NEW +IRcolor/.store in=\wl@IRcolor,% NEW +IRcolor/.default=wlIRcolor,% NEW +UVcolor/.get=\wl@UVcolor,% NEW +UVcolor/.store in=\wl@UVcolor,% NEW +UVcolor/.default=wlUVcolor,% NEW +charge/.get=\wl@charge,% +charge/.store in=\wl@charge,% charge/.default=0,% -Imin/.get=\wlintmin,% -Imin/.store in=\wlintmin,% +Imin/.get=\wl@intmin,% +Imin/.store in=\wl@intmin,% Imin/.default=0,% -lines/.get=\wllines,% -lines/.store in=\wllines,% +lines/.get=\wl@lines,% +lines/.store in=\wl@lines,% lines/.default={},% -line width/.get=\wllinewidth,% -line width/.store in=\wllinewidth,% +line width/.get=\wl@linewidth,% +line width/.store in=\wl@linewidth,% line width/.default=1pt,% -begin/.get=\wlbegin,% -begin/.store in=\wlbegin,% +begin/.get=\wl@begin,% +begin/.store in=\wl@begin,% begin/.default=380,% -end/.get=\wlend,% -end/.store in=\wlend,% +end/.get=\wl@end,% +end/.store in=\wl@end,% end/.default=780,% -axis step/.get=\wlaxisstep,% -axis step/.store in=\wlaxisstep,% +axis step/.get=\wl@axisstep,% +axis step/.store in=\wl@axisstep,% axis step/.default=20,% -axis color/.get=\wlaxiscolor,% -axis color/.store in=\wlaxiscolor,% +axis ticks/.get=\wl@axisticks,% NEW +axis ticks/.store in=\wl@axisticks,% NEW +axis ticks/.default=0,% NEW +axis color/.get=\wl@axiscolor,% +axis color/.store in=\wl@axiscolor,% axis color/.default=black,% -axis font/.get=\wlaxisfont,% -axis font/.store in=\wlaxisfont,% +axis font/.get=\wl@axisfont,% +axis font/.store in=\wl@axisfont,% axis font/.default={\tiny},% -axis font color/.get=\wlaxisfontcolor,% -axis font color/.store in=\wlaxisfontcolor,% +axis font color/.get=\wl@axisfontcolor,% +axis font color/.store in=\wl@axisfontcolor,% axis font color/.default=white,% -label position/.get=\wllabelposition,% -label position/.store in=\wllabelposition,% +label position/.get=\wl@labelposition,% +label position/.store in=\wl@labelposition,% label position/.default={west},% -label before text/.get=\wllabelbtext,% -label before text/.store in=\wllabelbtext,% +label before text/.get=\wl@labelbtext,% +label before text/.store in=\wl@labelbtext,% label before text/.default={},% -label after text/.get=\wllabelatext,% -label after text/.store in=\wllabelatext,% +label after text/.get=\wl@labelatext,% +label after text/.store in=\wl@labelatext,% label after text/.default={},% -label font/.get=\wllabelfont,% -label font/.store in=\wllabelfont,% +label font/.get=\wl@labelfont,% +label font/.store in=\wl@labelfont,% label font/.default={\bfseries\small},% -label font color/.get=\wllabelfontcolor,% -label font color/.store in=\wllabelfontcolor,% +label font color/.get=\wl@labelfontcolor,% +label font color/.store in=\wl@labelfontcolor,% label font color/.default=black,% -gamma/.get=\wlgamma,% -gamma/.store in=\wlgamma,% +gamma/.get=\wl@gamma,% +gamma/.store in=\wl@gamma,% gamma/.default=0.8,% -brightness/.get=\wlbrightness,% -brightness/.store in=\wlbrightness,% +brightness/.get=\wl@brightness,% +brightness/.store in=\wl@brightness,% brightness/.default=1,% -line intensity/.get=\wllineint,% -line intensity/.store in=\wllineint,% +line intensity/.get=\wl@lineint,% +line intensity/.store in=\wl@lineint,% line intensity/.default=100,% -relative intensity threshold/.get=\wlrelintthresh,% -relative intensity threshold/.store in=\wlrelintthresh,% +relative intensity threshold/.get=\wl@relintthresh,% +relative intensity threshold/.store in=\wl@relintthresh,% relative intensity threshold/.default=0.25,% -absorption/.is if=wlabsorption,% -axis/.is if=wldrawaxis,% -label/.is if=wlaxislabel,% -relative intensity/.is if=wlintensity% +absorption/.is if=wl@absorption,% +axis/.is if=wl@drawaxis,% +label/.is if=wl@axislabel,% +relative intensity/.is if=wl@intensity,% +redshift/.get=\wl@redshift,% NEW +redshift/.store in=\wl@redshift,% NEW +redshift/.default={},% NEW +show redshift value/.is if=wl@RSvalue% NEW }% % setting keys with default values -\pgfkeys{/wl/.cd,element,width,height,back,charge,Imin,lines,line width,begin,end,% -axis color,axis font,axis font color,axis step,label position,label before text,label after text,label font,label font color,gamma,brightness,line intensity,% -relative intensity threshold,absorption=false,axis=false,label=false,relative intensity=false}% +\pgfkeys{/wl/.cd,element,width,height,back,backIRUV,IRcolor,UVcolor,charge,Imin,lines,line width,begin,end,% NEW -> backIRUV,IRcolor,UVcolor +axis color,axis font,axis font color,axis step,axis ticks,label position,label before text,label after text,label font,label font color,gamma,brightness,line intensity,% +relative intensity threshold,absorption=false,axis=false,label=false,relative intensity=false,redshift,show redshift value=false}% NEW -> redshift, show redshift value % strings for \ifx tests \def\wlN@NE{NONE}% \def\wl@ll{all}% \def\wl@visible{visible}% \def\wl@visible@list{visible,visible5,visible10,visible15,visible20,visible25,visible30,visible35,visible40,visible45,visible50,visible55,visible60,visible65,visible70,visible75,visible80,visible85,visible90,visible95,visible100}% \def\wl@label@position@list{west,north west,north,north east,east,south east,south,south west}% +\def\wl@redshift@D{D}% NEW %%%% COMMANDS --------------------------------------------------------------------------------> +% commands ################################################## +\newif\ifpgfspectra@StyleIsDef\pgfspectra@StyleIsDeffalse% NEW +% \pgfspectraStyle[options]% NEW +\def\pgfspectraStyle[#1]{\pgfspectraStyleReset\pgfspectra@StyleIsDeftrue\relax\tikzset{/wl/.cd,#1}% +\def\pgfspectra@DoStyle{\tikzset{/wl/.cd,#1}}% applies storing user style for future use +}% NEW +% \pgfspectraStyleReset% NEW +\def\pgfspectraStyleReset{\pgfspectra@StyleIsDeffalse\tikzset{/wl/.cd,% +element=NONE,width=0.9\textwidth,height=1cm,back=black,backIRUV=black,IRcolor=wlIRcolor,UVcolor=wlUVcolor,% +charge=0,Imin=0,lines={},line width=1pt,begin=380,end=780,axis color=black,axis font=\tiny,axis font color=white,axis step=20,axis ticks=0,label position=west,% +label before text={},label after text={},label font=\bfseries\small,label font color=black,gamma=0.8,brightness=1,line intensity=100,% +relative intensity threshold=0.25,absorption=false,axis=false,label=false,relative intensity=false,redshift={},show redshift value=false}}% NEW +% --------------- The main command to draw the spectra ----------------------------------------- % \pgfspectra[options] \def\pgfspectra{\@ifnextchar[\wl@pgfspectra@withoptions{\wl@pgfspectra@nooptions}}% \def\wl@pgfspectra@nooptions{\wl@pgfspectra@continuous(0.9\textwidth,1cm)}% % ########################################################## -\def\wl@pgfspectra@continuous(#1,#2){% +\def\wl@pgfspectra@continuous(#1,#2){\ignorespaces% \begin{tikzpicture}% +\pgfmathparse{#1/400}\edef\xscale{\pgfmathresult} +\pgfmathparse{1.4*\xscale+.09*\linewidth/\wl@width}\edef\wl@linewidth{\pgfmathresult}% NEW {\xscale} -> {1.4*\xscale+.09*\linewidth/\wl@width} \foreach \x in {380,...,780}% {% - \pgfmathparse{#1/400}\edef\xscale{\pgfmathresult}\edef\wl@linewidth{\xscale pt} \wlcolor{\x}% \pgfmathparse{(\x-380)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \draw[wltemp,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,#2);% + \draw[wl@temp,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,#2);% }% \end{tikzpicture}% }% % ########################################################## -\def\wl@pgfspectra@withoptions[#1]{% -% setting default values -\pgfkeys{/wl/.cd,element,width,height,back,charge,Imin,lines,line width,begin,end,axis color,axis font,axis font color,axis step,label position,label before text,label after text,label font,label font color,gamma,brightness,line intensity,relative intensity threshold,absorption=false,axis=false,label=false,relative intensity=false}% +\def\wl@pgfspectra@withoptions[#1]{\ignorespaces% +% setting default values or user style +\ifpgfspectra@StyleIsDef\pgfspectraStyleReset\pgfspectra@DoStyle\pgfspectra@StyleIsDeftrue\relax\else\pgfspectraStyleReset\relax\fi% NEW % process options (key values) -\pgfkeys{/wl/.cd,#1} +\pgfkeys{/wl/.cd,#1}% % axis height -\setbox0=\hbox{\wlaxisfont\selectfont380}\edef\@wl@axis@height{\the\ht0}% +\setbox0=\hbox{\wl@axisfont\selectfont380}\edef\@wl@axis@height{\the\ht0}% % process visible background (visible+opacity) \wl@counta=0% \wl@countb=-1% \@for\@myarg:=\wl@visible@list\do{% - \ifx\wlback\@myarg\wl@countb=\wl@counta\fi% + \ifx\wl@back\@myarg\wl@countb=\wl@counta\fi% \advance\wl@counta by1% }% -\ifnum\wl@countb=0\let\wlback\wl@visible\edef\@visible@opacity{.5}\else% -\ifnum\wl@countb>0\let\wlback\wl@visible\pgfmathparse{.05*\wl@countb}\edef\@visible@opacity{\pgfmathresult}\fi\fi% +\ifnum\wl@countb=-1\edef\@visible@opacity{1}\else% NEW +\ifnum\wl@countb=0\let\wl@back\wl@visible\edef\@visible@opacity{.5}\else% +\ifnum\wl@countb>0\let\wl@back\wl@visible\pgfmathparse{.05*\wl@countb}\edef\@visible@opacity{\pgfmathresult}\fi\fi\fi% +%back color: \wl@back\\ debug +% ---------------------------------------------------------------------------------------------------------- +% check limits... % NEW +\ifnum\wl@end<10\relax\def\wldez{10}\let\wl@end\wldez\fi% +\ifnum\wl@end>4000\relax\def\wlquatromil{4000}\let\wl@end\wlquatromil\fi% +\ifnum\wl@begin<10\relax\def\wldez{10}\let\wl@begin\wldez\fi% +\ifnum\wl@begin>4000\relax\def\wlquatromil{4000}\let\wl@begin\wlquatromil\fi% +% ---------------------------------------------------------------------------------------------------------- +% verifying redshift key +\ifx\wl@redshift\@empty\relax% +\wl@redshiftfalse% +\else% +\wl@processredshiftkey\wl@redshift\relax% +\fi% % ---------------------------------------------------------------------------------------------------------- % if no element provided draws continuous spectrum with options or user list of lines -\ifx\wlelement\wlN@NE%no element by the user - \ifx\wl@elt@chemsym\undefined\else\let\wl@elt@chemsym\undefined\fi - \ifx\wllines\@empty%no lines by the user => continuous spectrum +\ifx\wl@element\wlN@NE%no element by the user + \ifx\wl@elt@chemsym\undefined\else\let\wl@elt@chemsym\undefined\fi% + \ifx\wl@lines\@empty%no lines by the user => continuous spectrum % draws the continuous spectrum width options (default or by the user) \begin{tikzpicture}% - \pgfmathparse{\wlwidth/(abs(\wlend-\wlbegin))}\edef\xscale{\pgfmathresult}% - \ifwldrawaxis%draws the axis + \pgfkeys{/wl/.cd,#1}% NEW + \pgfmathparse{\wl@width/(abs(\wl@end-\wl@begin))}\edef\xscale{\pgfmathresult}% + \ifwl@drawaxis%draws the axis \wl@utils@draw@axis% - \fi%\ifwldrawaxis - \ifwlaxislabel%put the label + \fi%\ifwl@drawaxis + \ifwl@axislabel%put the label \wl@utils@put@label% - \fi%\ifwlaxislabel - \wl@utils@visiblespectrum{\wlbrightness} + \fi%\ifwl@axislabel + \let\wl@back\wl@visible% + \let\wl@background@UVcolor\wl@backnotvisible\let\wl@background@IRcolor\wl@backnotvisible\relax% + \wl@utils@drawbackground{\@visible@opacity*\wl@brightness}% \end{tikzpicture}% \let\wl@list@@\@empty% \else% lines by the user - \edef\wl@list@@{\wllines} - \fi%\wllines\@empty -\else%\wlelement\wlN@NE + \edef\wl@list@@{\wl@lines}% + \let\wl@background@UVcolor\wl@backnotvisible\let\wl@background@IRcolor\wl@backnotvisible\relax% + \fi%\wl@lines\@empty +\else%\wl@element\wlN@NE % else get element(s) data \wl@countc=0% \wl@countd=1% - \@for\@myarg:=\wlelement\do{\advance\wl@countc by 1}%count number of elements + \@for\@myarg:=\wl@element\do{\advance\wl@countc by1}%count number of elements \wl@addt@list{}{}% - \@for\@myarg:=\wlelement\do{% - \curelemexisttrue% - \def\wl@elt@chemsym{NOT FOUND!} + \@for\@myarg:=\wl@element\do{% + \cur@elem@existtrue% + \def\wl@elt@chemsym{NOT FOUND!}% \def\@search@result@err{NOT FOUND!}% \wl@elt@data{\@myarg}\relax% % check if element provided exists - \ifx\@search@result@err\wl@elt@chemsym Element\ ``\@myarg'' with charge ``\wlcharge'' not found!\curelemexistfalse\else% + \ifx\@search@result@err\wl@elt@chemsym Element\ ``\@myarg'' with charge ``\wl@charge'' not found!\cur@elem@existfalse\else% % if exists, set the wavelength's list \wl@set@element@list{\wl@elt@elemdata}{\wl@elt@Imax}% \fi%\@search@result@err\wl@elt@chemsym - \ifcurelemexist\ifnum\wl@countd<\wl@countc\wl@addt@list{\wl@list@@}{,}\fi\fi% - \advance\wl@countd by 1% + \ifcur@elem@exist\ifnum\wl@countd<\wl@countc\wl@addt@list{\wl@list@@}{,}\fi\fi% + \advance\wl@countd by1% }%end do -\fi%\wlelement\wlN@NE +\fi%\wl@element\wlN@NE % check if there are lines to draw and make the spectrum - \ifx\wl@list@@\@empty\ifx\wlelement\wlN@NE\else Element\ ``\wlelement'' with charge ``\wlcharge'' have no lines to display.\fi\else% - \ifwlabsorption%absortion spectrum + \ifx\wl@list@@\@empty\ifx\wl@element\wlN@NE\else Element\ ``\wl@element'' with charge ``\wl@charge'' have no lines to display.\fi\else% + \ifwl@absorption%absortion spectrum \begin{tikzpicture}% - \pgfmathparse{\wlwidth/(abs(\wlend-\wlbegin))}\edef\xscale{\pgfmathresult}% - \ifwldrawaxis%draws the axis + \pgfkeys{/wl/.cd,#1}% NEW + \pgfmathparse{\wl@width/(abs(\wl@end-\wl@begin))}\edef\xscale{\pgfmathresult}% + \ifwl@drawaxis%draws the axis \wl@utils@draw@axis% - \fi%\ifwldrawaxis - \ifwlaxislabel%put the label + \fi%\ifwl@drawaxis + \ifwl@axislabel%put the label \wl@utils@put@label% - \fi%\ifwlaxislabel - \wl@utils@visiblespectrum{\wlbrightness}%put visible spectrum in the background + \fi%\ifwl@axislabel + \let\wl@back\wl@visible% + \let\wl@background@UVcolor\wl@UVcolor\let\wl@background@IRcolor\wl@IRcolor\relax% + \wl@utils@drawbackground{\wl@brightness}% % draws the lines \wl@utils@drawabsorptionlines% \end{tikzpicture}% \else%emission spectrum % draws the spectrum - \ifx\wlback\wl@visible%visible background + \ifx\wl@back\wl@visible%visible background \begin{tikzpicture}% - \pgfmathparse{\wlwidth/(abs(\wlend-\wlbegin))}\edef\xscale{\pgfmathresult}% - \ifwldrawaxis%draws the axis + \pgfkeys{/wl/.cd,#1}% NEW + \pgfmathparse{\wl@width/(abs(\wl@end-\wl@begin))}\edef\xscale{\pgfmathresult}% + \ifwl@drawaxis%draws the axis \wl@utils@draw@axis% - \fi%\ifwldrawaxis - \ifwlaxislabel%put the label + \fi%\ifwl@drawaxis + \ifwl@axislabel%put the label \wl@utils@put@label% - \fi%\ifwlaxislabel - \wl@utils@visiblespectrum{\@visible@opacity*\wlbrightness}%draws the visible background + \fi%\ifwl@axislabel + \let\wl@background@UVcolor\wl@backnotvisible\let\wl@background@IRcolor\wl@backnotvisible\relax% + \wl@utils@drawbackground{\@visible@opacity*\wl@brightness}% \wl@utils@drawemissionlines% emission lines \end{tikzpicture}% \else%without visible background \begin{tikzpicture}% - \pgfmathparse{\wlwidth/(abs(\wlend-\wlbegin))}\edef\xscale{\pgfmathresult}% - \ifwldrawaxis%draws the axis + \pgfkeys{/wl/.cd,#1}% NEW + \pgfmathparse{\wl@width/(abs(\wl@end-\wl@begin))}\edef\xscale{\pgfmathresult}% + \ifwl@drawaxis%draws the axis \wl@utils@draw@axis% - \fi%\ifwldrawaxis - \ifwlaxislabel%put the label + \fi%\ifwl@drawaxis + \ifwl@axislabel%put the label \wl@utils@put@label% - \fi%\ifwlaxislabel - \ifnum\wlbegin>\wlend% - \draw[draw=none,fill=\wlback] (0,0) rectangle (-\wlwidth,\wlheight);% background - \else% - \draw[draw=none,fill=\wlback] (0,0) rectangle (\wlwidth,\wlheight);% background - \fi% + \fi%\ifwl@axislabel + \let\wl@background@UVcolor\wl@backnotvisible\let\wl@background@IRcolor\wl@backnotvisible\relax% + \wl@utils@drawbackground{0}% dummy argument \wl@utils@drawemissionlines% emission lines \end{tikzpicture}% - \fi%\wlback\@visible - \fi%\ifwlabsorption + \fi%\wl@back\@visible + \fi%\ifwl@absorption \fi% \wl@list@@\@empty }% % ########################################################## %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % get individual line data from one element of the array data -\def\wl@get@line@info[#1 #2 #3]{ +\def\wl@get@line@info[#1 #2 #3]{% \def\@currentline@wl{#1}% return \def\@currentline@int{#2}% return \def\@currentline@charge{#3}% return @@ -236,22 +298,22 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in % \wl@list@@ -> (wl1/int1,wl2/int2,...) % \newif\ifwl@first% for first ocurrence of Imin -\def\wl@set@element@list#1#2{% \wl@elt@Imax +\def\wl@set@element@list#1#2{\ignorespaces% \wl@elt@Imax \wl@firsttrue% \wl@counta=0% \wl@countb=1% -\pgfmathparse{int(\wlintmin*100)}\edef\wl@intmin{\pgfmathresult}%intensity percentage -\ifnum\wl@intmin=0% include all intensities -\ifx\wl@ll\wlcharge%ALL lines -\@for\@myarg:=#1\do{\advance\wl@counta by 1}%count all entries - \ifwlintensity% +\pgfmathparse{int(\wl@intmin*100)}\edef\@wl@intmin{\pgfmathresult}%intensity percentage +\ifnum\@wl@intmin=0% include all intensities +\ifx\wl@ll\wl@charge%ALL lines +\@for\@myarg:=#1\do{\advance\wl@counta by1}%count all entries + \ifwl@intensity% \@for\@myarg:=#1% \do{% \expandafter\wl@get@line@info\@myarg% - \pgfmathparse{\wlrelintthresh+(1-\wlrelintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% + \pgfmathparse{\wl@relintthresh+(1-\wl@relintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% \ifnum\wl@countb<\wl@counta\wl@addt@list{\wl@list@@}{\@currentline@wl/\wl@intensity@to@list,}\else% \wl@addt@list{\wl@list@@}{\@currentline@wl/\wl@intensity@to@list}\fi% - \advance\wl@countb by 1% + \advance\wl@countb by1% }%END do \else% \@for\@myarg:=#1% @@ -259,17 +321,17 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in \expandafter\wl@get@line@info\@myarg% \ifnum\wl@countb<\wl@counta\wl@addt@list{\wl@list@@}{\@currentline@wl,}\else% \wl@addt@list{\wl@list@@}{\@currentline@wl}\fi% - \advance\wl@countb by 1% + \advance\wl@countb by1% }%END do \fi% \else% lines for one specific charge -\@for\@myarg:=#1\do{\expandafter\wl@get@line@info\@myarg\ifx\@currentline@charge\wlcharge\advance\wl@counta by 1\fi}%count only if is the desired charge - \ifwlintensity% +\@for\@myarg:=#1\do{\expandafter\wl@get@line@info\@myarg\ifx\@currentline@charge\wl@charge\advance\wl@counta by 1\fi}%count only if is the desired charge + \ifwl@intensity% \@for\@myarg:=#1% \do{% \expandafter\wl@get@line@info\@myarg% - \pgfmathparse{\wlrelintthresh+(1-\wlrelintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% - \ifx\@currentline@charge\wlcharge%add to list if is the desired charge + \pgfmathparse{\wl@relintthresh+(1-\wl@relintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% + \ifx\@currentline@charge\wl@charge%add to list if is the desired charge \ifnum\wl@countb<\wl@counta\wl@addt@list{\wl@list@@}{\@currentline@wl/\wl@intensity@to@list,}\else% \wl@addt@list{\wl@list@@}{\@currentline@wl/\wl@intensity@to@list}\fi% \advance\wl@countb by 1% @@ -279,7 +341,7 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in \@for\@myarg:=#1% \do{% \expandafter\wl@get@line@info\@myarg% - \ifx\@currentline@charge\wlcharge%add to list if is the desired charge + \ifx\@currentline@charge\wl@charge%add to list if is the desired charge \ifnum\wl@countb<\wl@counta\wl@addt@list{\wl@list@@}{\@currentline@wl,}\else% \wl@addt@list{\wl@list@@}{\@currentline@wl}\fi% \advance\wl@countb by 1% @@ -287,18 +349,18 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in }%END do \fi% \fi% -\else%\wlintmin>0 & \wlintmin<1 -\ifnum\wl@intmin>100\else% -\pgfmathparse{\wlintmin*#2}\edef\wl@actual@int{\pgfmathresult}% -\ifx\wl@ll\wlcharge%ALL lines +\else%\wl@intmin>0 & \wl@intmin<1 +\ifnum\@wl@intmin>100\else% +\pgfmathparse{\wl@intmin*#2}\edef\wl@actual@int{\pgfmathresult}% +\ifx\wl@ll\wl@charge%ALL lines \@for\@myarg:=#1\do{\advance\wl@counta by 1}%count all entries - \ifwlintensity% + \ifwl@intensity% \@for\@myarg:=#1% \do{% \expandafter\wl@get@line@info\@myarg% \pgfmathparse{notless(\@currentline@int,\wl@actual@int)}\relax\edef\wl@int@result{\pgfmathresult}% \ifnum\wl@int@result=1% - \pgfmathparse{\wlrelintthresh+(1-\wlrelintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% + \pgfmathparse{\wl@relintthresh+(1-\wl@relintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% \ifwl@first\wl@addt@list{\wl@list@@}{\@currentline@wl/\wl@intensity@to@list}\else% \wl@addt@list{\wl@list@@}{,\@currentline@wl/\wl@intensity@to@list}\fi% \ifwl@first\wl@firstfalse\fi% @@ -319,15 +381,15 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in }%END do \fi% \else% lines for one specific charge -\@for\@myarg:=#1\do{\expandafter\wl@get@line@info\@myarg\ifx\@currentline@charge\wlcharge\advance\wl@counta by 1\fi}%count only if is the desired charge - \ifwlintensity% +\@for\@myarg:=#1\do{\expandafter\wl@get@line@info\@myarg\ifx\@currentline@charge\wl@charge\advance\wl@counta by 1\fi}%count only if is the desired charge + \ifwl@intensity% \@for\@myarg:=#1% \do{% \expandafter\wl@get@line@info\@myarg% - \ifx\@currentline@charge\wlcharge%add to list if is the desired charge + \ifx\@currentline@charge\wl@charge%add to list if is the desired charge \pgfmathparse{notless(\@currentline@int,\wl@actual@int)}\edef\wl@int@result{\pgfmathresult}% \ifnum\wl@int@result=1% - \pgfmathparse{\wlrelintthresh+(1-\wlrelintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% + \pgfmathparse{\wl@relintthresh+(1-\wl@relintthresh)*\@currentline@int/#2}\edef\wl@intensity@to@list{\pgfmathresult}% \ifwl@first\wl@addt@list{\wl@list@@}{\@currentline@wl/\wl@intensity@to@list}\else% \wl@addt@list{\wl@list@@}{,\@currentline@wl/\wl@intensity@to@list}\fi% \ifwl@first\wl@firstfalse\fi% @@ -339,7 +401,7 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in \@for\@myarg:=#1% \do{% \expandafter\wl@get@line@info\@myarg% - \ifx\@currentline@charge\wlcharge%add to list if is the desired charge + \ifx\@currentline@charge\wl@charge%add to list if is the desired charge \pgfmathparse{notless(\@currentline@int,\wl@actual@int)}\edef\wl@int@result{\pgfmathresult}% \ifnum\wl@int@result=1% \ifwl@first\wl@addt@list{\wl@list@@}{\@currentline@wl}\else% @@ -355,270 +417,487 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in \fi% }% % add to list -\def\wl@addt@list#1#2{\edef\wl@list@@{#1#2}} +\def\wl@addt@list#1#2{\edef\wl@list@@{#1#2}}% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% internal utils --------------------------------------------------------------------------------------------------------------------------------------------------------------- % +% internal utils %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\wl@utils@draw@axis{% - \ifnum\wlbegin>\wlend% - \draw[draw=none,fill=\wlaxiscolor] ([xshift={1.5*\@wl@axis@height}]0,\wlheight+2.5pt) rectangle ([xshift={-1.5*\@wl@axis@height}]-\wlwidth,-2.5*\@wl@axis@height);% - \pgfmathparse{\wlend+\wlaxisstep}\pgfmathparse{int(\pgfmathresult)} - \edef\@axis@list{\wlend,\pgfmathresult,...,\wlbegin} +\def\wl@utils@draw@axis{\ignorespaces% + \ifnum\wl@begin>\wl@end% + % New xshift={-2.5*\@wl@axis@height} to hold bigger numbers, e.g. 2500 + \draw[draw=none,fill=\wl@axiscolor] ([xshift={2.5*\@wl@axis@height}]0,\wl@height+2.5pt) rectangle ([xshift={-2.5*\@wl@axis@height}]-\wl@width,-2.5*\@wl@axis@height);% + % minor ticks -> NEW + \ifnum\wl@axisticks>0\relax% + \pgfmathparse{\wl@end+\wl@axisstep/(\wl@axisticks+1)}\pgfmathparse{int(\pgfmathresult)} + \edef\@axis@list{\wl@end,\pgfmathresult,...,\wl@begin} + \foreach \x in \@axis@list% + {% + \pgfmathparse{(\wl@end-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[\wl@axisfontcolor!80!transparent,line width=.25pt] (\wl@currentx,-.375*\@wl@axis@height) -- ++(0,.375*\@wl@axis@height); + }% + \fi% + \pgfmathparse{\wl@end+\wl@axisstep}\pgfmathparse{int(\pgfmathresult)} + \edef\@axis@list{\wl@end,\pgfmathresult,...,\wl@begin} \foreach \x in \@axis@list% {% - \pgfmathparse{(\wlend-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \draw[\wlaxisfontcolor,line width=.25pt] (\wl@currentx,-.75*\@wl@axis@height) -- ++(0,.75*\@wl@axis@height); - \node[\wlaxisfontcolor,font=\wlaxisfont,above,inner sep=0pt] at (\wl@currentx,-2.25*\@wl@axis@height) {\x}; + \pgfmathparse{(\wl@end-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[\wl@axisfontcolor,line width=.25pt] (\wl@currentx,-.75*\@wl@axis@height) -- ++(0,.75*\@wl@axis@height); + \node[\wl@axisfontcolor,font=\wl@axisfont,above,inner sep=0pt] at (\wl@currentx,-2.25*\@wl@axis@height) {\x}; }% \else% - \draw[draw=none,fill=\wlaxiscolor] ([xshift={-1.5*\@wl@axis@height}]0,\wlheight+2.5pt) rectangle ([xshift={1.5*\@wl@axis@height}]\wlwidth,-2.5*\@wl@axis@height);% - \pgfmathparse{\wlbegin+\wlaxisstep}\pgfmathparse{int(\pgfmathresult)} - \edef\@axis@list{\wlbegin,\pgfmathresult,...,\wlend} + \draw[draw=none,fill=\wl@axiscolor] ([xshift={-2.5*\@wl@axis@height}]0,\wl@height+2.5pt) rectangle ([xshift={2.5*\@wl@axis@height}]\wl@width,-2.5*\@wl@axis@height);% + % minor ticks -> NEW + \ifnum\wl@axisticks>0\relax% + \pgfmathparse{\wl@begin+\wl@axisstep/(\wl@axisticks+1)}\pgfmathparse{int(\pgfmathresult)} + \edef\@axis@list{\wl@begin,\pgfmathresult,...,\wl@end} + \foreach \x in \@axis@list% + {% + \pgfmathparse{(\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[\wl@axisfontcolor!80!transparent,line width=.25pt] (\wl@currentx,-.375*\@wl@axis@height) -- ++(0,.375*\@wl@axis@height); + }% + \fi% + \pgfmathparse{\wl@begin+\wl@axisstep}\pgfmathparse{int(\pgfmathresult)} + \edef\@axis@list{\wl@begin,\pgfmathresult,...,\wl@end} \foreach \x in \@axis@list% {% - \pgfmathparse{(\x-\wlbegin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \draw[\wlaxisfontcolor,line width=.25pt] (\wl@currentx,-.75*\@wl@axis@height) -- ++(0,.75*\@wl@axis@height); - \node[\wlaxisfontcolor,font=\wlaxisfont,above,inner sep=0pt] at (\wl@currentx,-2.25*\@wl@axis@height) {\x}; + \pgfmathparse{(\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[\wl@axisfontcolor,line width=.25pt] (\wl@currentx,-.75*\@wl@axis@height) -- ++(0,.75*\@wl@axis@height); + \node[\wl@axisfontcolor,font=\wl@axisfont,above,inner sep=0pt] at (\wl@currentx,-2.25*\@wl@axis@height) {\x}; }% \fi% }% -\def\wl@utils@put@label{% +\def\wl@utils@put@label{\ignorespaces% \ifx\wl@elt@chemsym\undefined\def\wl@elt@chemsym{}\fi% \wl@get@label@position% - \ifnum\wlbegin>\wlend% + \ifnum\wl@begin>\wl@end% \ifcase\wl@label@position% %west - \ifwldrawaxis%\ifwlaxislabel% - \node[\wllabelfontcolor,font=\wllabelfont,left,minimum width=2em,align=right] at (-1.5*\@wl@axis@height-\wlwidth,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis%\ifwl@axislabel% + \node[\wl@labelfontcolor,font=\wl@labelfont,left,minimum width=2em,align=right] at (-2.5*\@wl@axis@height-\wl@width,0.5*\wl@height-1.25*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,left,minimum width=2em,align=right] at (-\wlwidth,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,left,minimum width=2em,align=right] at (-\wl@width,0.5*\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%north west - \node[\wllabelfontcolor,font=\wllabelfont,above right,inner xsep=0pt] at (-\wlwidth,\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,above right,inner xsep=0pt] at (-2.5*\@wl@axis@height-\wl@width,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \else% + \node[\wl@labelfontcolor,font=\wl@labelfont,above right,inner xsep=0pt] at (-\wl@width,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \fi% \or%north - \node[\wllabelfontcolor,font=\wllabelfont,above] at (-0.5*\wlwidth,\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,above] at (-0.5*\wl@width,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \or%north east - \node[\wllabelfontcolor,font=\wllabelfont,above left,inner xsep=0pt] at (0,\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,above left,inner xsep=0pt] at (2.5*\@wl@axis@height,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \else% + \node[\wl@labelfontcolor,font=\wl@labelfont,above left,inner xsep=0pt] at (0,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \fi \or%east - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,right] at (1.5*\@wl@axis@height,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,right] at (2.5*\@wl@axis@height,0.5*\wl@height-1.25*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,right] at (0,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,right] at (0,0.5*\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%south east - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,below left,inner xsep=0pt] at (0,-2.5*\@wl@axis@height) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,below left,inner xsep=0pt] at (2.5*\@wl@axis@height,-2.5*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,below left,inner xsep=0pt] at (0,0) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,below left,inner xsep=0pt] at (0,0) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%south - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,below] at (-0.5*\wlwidth,-2.5*\@wl@axis@height) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,below] at (-0.5*\wl@width,-2.5*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,below] at (-0.5*\wlwidth,0) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,below] at (-0.5*\wl@width,0) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%south west - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,below right,inner xsep=0pt] at (-1.5*\@wl@axis@height-\wlwidth,-2.5*\@wl@axis@height) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,below right,inner xsep=0pt] at (-2.5*\@wl@axis@height-\wl@width,-2.5*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,below right,inner xsep=0pt] at (-\wlwidth,0) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,below right,inner xsep=0pt] at (-\wl@width,0) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \fi% \else% \ifcase\wl@label@position% %west - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,left,minimum width=2em,align=right] at (-1.5*\@wl@axis@height,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,left,minimum width=2em,align=right] at (-2.5*\@wl@axis@height,0.5*\wl@height-1.25*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,left,minimum width=2em,align=right] at (0,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,left,minimum width=2em,align=right] at (0,0.5*\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%north west - \node[\wllabelfontcolor,font=\wllabelfont,above right,inner xsep=0pt] at (0,\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,above right,inner xsep=0pt] at (-2.5*\@wl@axis@height,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \else% + \node[\wl@labelfontcolor,font=\wl@labelfont,above right,inner xsep=0pt] at (0,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \fi% \or%north - \node[\wllabelfontcolor,font=\wllabelfont,above] at (0.5*\wlwidth,\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,above] at (0.5*\wl@width,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \or%north east - \node[\wllabelfontcolor,font=\wllabelfont,above left,inner xsep=0pt] at (\wlwidth,\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,above left,inner xsep=0pt] at (\wl@width+2.5*\@wl@axis@height,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \else% + \node[\wl@labelfontcolor,font=\wl@labelfont,above left,inner xsep=0pt] at (\wl@width,\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% + \fi% \or%east - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,right] at ([xshift={1.5*\@wl@axis@height}]\wlwidth,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,right] at ([xshift={2.5*\@wl@axis@height}]\wl@width,0.5*\wl@height-1.25*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,right] at (\wlwidth,0.5*\wlheight) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,right] at (\wl@width,0.5*\wl@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%south east - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,below left,inner xsep=0pt] at (\wlwidth,-2.5*\@wl@axis@height) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,below left,inner xsep=0pt] at (\wl@width+2.5*\@wl@axis@height,-2.5*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,below left,inner xsep=0pt] at (\wlwidth,0) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,below left,inner xsep=0pt] at (\wl@width,0) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%south - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,below] at (0.5*\wlwidth,-2.5*\@wl@axis@height) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,below] at (0.5*\wl@width,-2.5*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,below] at (0.5*\wlwidth,0) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,below] at (0.5*\wl@width,0) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \or%south west - \ifwldrawaxis% - \node[\wllabelfontcolor,font=\wllabelfont,below right,inner xsep=0pt] at (-1.5*\@wl@axis@height,-2.5*\@wl@axis@height) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \ifwl@drawaxis% + \node[\wl@labelfontcolor,font=\wl@labelfont,below right,inner xsep=0pt] at (-2.5*\@wl@axis@height,-2.5*\@wl@axis@height) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \else% - \node[\wllabelfontcolor,font=\wllabelfont,below right,inner xsep=0pt] at (0,0) {\wllabelbtext\wl@elt@chemsym\wllabelatext};% + \node[\wl@labelfontcolor,font=\wl@labelfont,below right,inner xsep=0pt] at (0,0) {\wl@labelbtext\wl@elt@chemsym\wl@labelatext};% \fi% \fi% \fi% }% -\def\wl@utils@visiblespectrum#1{% - \pgfmathparse{int(#1*100)}\edef\wl@bright{\pgfmathresult} - \ifnum\wlbegin>\wlend% - \foreach \x in {\wlend,...,\wlbegin}% - {% - \wlcolor{\x}% - \colorlet{wlcolor}{wltemp!\wl@bright!black}% ??? !black - \pgfmathparse{(\wlend-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \edef\wl@linewidth{\xscale pt}% - \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wlheight);% - }% - \else% - \foreach \x in {\wlbegin,...,\wlend}% - {% - \wlcolor{\x}% - \colorlet{wlcolor}{wltemp!\wl@bright!black}% ??? !black - \pgfmathparse{(\x-\wlbegin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \edef\wl@linewidth{\xscale pt}% - \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wlheight);% - }% - \fi% +\def\wl@utils@drawbackground#1{\ignorespaces% NEW - in this version draws from UV, VIS to IV -> replaces \wl@utils@visiblespectrum#1 +% reprocess visible background (only visible) -> needed because of the override in keys + \wl@counta=0% + \wl@countb=-1% + \@for\@myarg:=\wl@visible@list\do{% + \ifx\wl@back\@myarg\wl@countb=\wl@counta\fi% + \advance\wl@counta by1% + }% + \ifnum\wl@countb>-1\let\wl@back\wl@visible\fi% + \pgfmathparse{int(#1*100)}\edef\wl@bright{\pgfmathresult}% + \pgfmathparse{1.4*\xscale+.09*\linewidth/\wl@width}\edef\wl@linewidth{\pgfmathresult}% NEW {\xscale} -> {1.4*\xscale+.09*\linewidth/\wl@width} + \ifnum\wl@begin>\wl@end% 0 + \ifnum\wl@end<380\relax% 1 + \pgfmathparse{(\wl@end-380)*\xscale}\edef\wl@pointA{\pgfmathresult pt}% + \ifnum\wl@begin>780\relax% 2 + \pgfmathparse{(\wl@end-780)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \draw[draw=none,fill=\wl@background@UVcolor] (0,0) rectangle (\wl@pointA,\wl@height);% + \draw[draw=none,fill=\wl@background@IRcolor] (\wl@pointB,0) rectangle (-\wl@width,\wl@height);% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {780,...,380}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{\wl@pointB+(780-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (\wl@pointA,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \else% 2 + \pgfmathparse{(\wl@end-\wl@begin)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \draw[draw=none,fill=\wl@background@UVcolor] (0,0) rectangle (\wl@pointA,\wl@height);% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {\wl@begin,...,380}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{\wl@pointB+(\wl@begin-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (\wl@pointA,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \fi% 2 + \else% 1 + \ifnum\wl@begin>780\relax% 2 + \pgfmathparse{(\wl@end-780)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \draw[draw=none,fill=\wl@background@IRcolor] (\wl@pointB,0) rectangle (-\wl@width,\wl@height);% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {780,...,\wl@end}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{\wl@pointB+(780-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (0,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \else% 2 + \pgfmathparse{(\wl@end-\wl@begin)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {\wl@begin,...,\wl@end}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{\wl@pointB+(\wl@begin-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (0,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \fi% 2 + \fi% 1 + \else% 0 + \ifnum\wl@begin<380\relax% 1 + \pgfmathparse{(380-\wl@begin)*\xscale}\edef\wl@pointA{\pgfmathresult pt}% + \ifnum\wl@end>780\relax% 2 + \pgfmathparse{(780-\wl@begin)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \draw[draw=none,fill=\wl@background@UVcolor] (0,0) rectangle (\wl@pointA,\wl@height);% + \draw[draw=none,fill=\wl@background@IRcolor] (\wl@pointB,0) rectangle (\wl@width,\wl@height);% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {380,...,780}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{\wl@pointB-(780-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (\wl@pointA,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \else% 2 + \pgfmathparse{(\wl@end-\wl@begin)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \draw[draw=none,fill=\wl@background@UVcolor] (0,0) rectangle (\wl@pointA,\wl@height);% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {\wl@end,...,380}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{\wl@pointB-(\wl@end-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (\wl@pointA,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \fi% 2 + \else% 1 + \ifnum\wl@end>780\relax% 2 + \pgfmathparse{(780-\wl@begin)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \draw[draw=none,fill=\wl@background@IRcolor] (\wl@pointB,0) rectangle (\wl@width,\wl@height);% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {\wl@begin,...,780}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{(\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (0,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \else% 2 + \pgfmathparse{(\wl@end-\wl@begin)*\xscale}\edef\wl@pointB{\pgfmathresult pt}% + \ifx\wl@back\wl@visible% 3 visible background + \foreach \x in {\wl@begin,...,\wl@end}{% + \wlcolor{\x}% + \colorlet{wlcolor}{wl@temp!\wl@bright!black}% + \pgfmathparse{\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);}% + \else% 3 + \draw[draw=none,fill=\wl@back] (0,0) rectangle (\wl@pointB,\wl@height);% + \fi% 3 + \fi% 2 + \fi% 1 + \fi%0 }% -\def\wl@utils@drawabsorptionlines{% - \ifnum\wlbegin>\wlend% - \ifwlintensity% +\def\wl@utils@drawabsorptionlines{\ignorespaces% + \ifnum\wl@begin>\wl@end% + \ifwl@intensity% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x/\y in \wl@list@@% {% - \pgfmathparse{notless(\x,\wlend)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlbegin)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@end)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@begin)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\wlend-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult} - \wlcolor{\x} - \colorlet{wlcolor}{black!\wl@black!wltemp} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\wl@end-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult}% + \wlcolor{\x}% + \colorlet{wlcolor}{black!\wl@black!wl@temp}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \else% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x in \wl@list@@% {% - \pgfmathparse{notless(\x,\wlend)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlbegin)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@end)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@begin)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\wlend-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \wlcolor{\x} - \colorlet{wlcolor}{black!\wllineint!wltemp} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\wl@end-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \wlcolor{\x}% + \colorlet{wlcolor}{black!\wl@lineint!wl@temp}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \fi% \else% - \ifwlintensity% + \ifwl@intensity% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x/\y in \wl@list@@% {% - \pgfmathparse{notless(\x,\wlbegin)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlend)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@begin)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@end)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\x-\wlbegin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult} - \wlcolor{\x} - \colorlet{wlcolor}{black!\wl@black!wltemp} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult}% + \wlcolor{\x}% + \colorlet{wlcolor}{black!\wl@black!wl@temp}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \else% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x in \wl@list@@% {% - \pgfmathparse{notless(\x,\wlbegin)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlend)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@begin)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@end)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\x-\wlbegin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \wlcolor{\x} - \colorlet{wlcolor}{black!\wllineint!wltemp} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \wlcolor{\x}% + \colorlet{wlcolor}{black!\wl@lineint!wl@temp}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \fi% \fi% +\ifwl@RSvalue% NEW +\ifnum\wl@begin>\wl@end% +\ifwl@drawaxis\pgfmathparse{-\wl@width-2.5*\@wl@axis@height}\edef\wl@redshiftinfo@x{\pgfmathresult pt}% +\else\pgfmathparse{-\wl@width}\edef\wl@redshiftinfo@x{\pgfmathresult pt}\fi% +\else% +\ifwl@drawaxis\pgfmathparse{-2.5*\@wl@axis@height}\edef\wl@redshiftinfo@x{\pgfmathresult pt}% +\else\edef\wl@redshiftinfo@x{0pt}\fi% +\fi% +\ifwl@drawaxis\pgfmathparse{-.75*\@wl@axis@height-1.3*\ht0-2pt}\edef\wl@redshiftinfo@y{\pgfmathresult pt}\else\edef\wl@redshiftinfo@y{0pt}\fi% +\node[below right,inner xsep=0pt,font=\wl@axisfont] at (\wl@redshiftinfo@x,\wl@redshiftinfo@y) {\wl@redshiftinfo};% +\fi% NEW }% -\def\wl@utils@drawemissionlines{% - \ifnum\wlbegin>\wlend% - \ifwlintensity% +\def\wl@utils@drawemissionlines{\ignorespaces% + \ifnum\wl@begin>\wl@end% + \ifwl@intensity% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x/\y in \wl@list@@% {% \wlcolor{\x}% - \pgfmathparse{notless(\x,\wlend)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlbegin)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@end)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@begin)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\wlend-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult} - \colorlet{wlcolor}{wltemp!\wl@black!black} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\wl@end-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult}% + \colorlet{wlcolor}{wl@temp!\wl@black!black}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \else% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x in \wl@list@@% {% \wlcolor{\x}% - \pgfmathparse{notless(\x,\wlend)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlbegin)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@end)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@begin)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\wlend-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \colorlet{wlcolor}{wltemp!\wllineint!black} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\wl@end-\x)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \colorlet{wlcolor}{wl@temp!\wl@lineint!black}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \fi% \else% - \ifwlintensity% + \ifwl@intensity% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x/\y in \wl@list@@% {% \wlcolor{\x}% - \pgfmathparse{notless(\x,\wlbegin)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlend)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@begin)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@end)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\x-\wlbegin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult} - \colorlet{wlcolor}{wltemp!\wl@black!black} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \pgfmathparse{int(\y*100)}\edef\wl@black{\pgfmathresult}% + \colorlet{wlcolor}{wl@temp!\wl@black!black}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \else% + \ifwl@redshift\wl@utils@redshift\fi% NEW \foreach \x in \wl@list@@% {% \wlcolor{\x}% - \pgfmathparse{notless(\x,\wlbegin)}\edef\wl@x@nl{\pgfmathresult}% - \pgfmathparse{notgreater(\x,\wlend)}\edef\wl@x@ng{\pgfmathresult} + \pgfmathparse{notless(\x,\wl@begin)}\edef\wl@x@nl{\pgfmathresult}% + \pgfmathparse{notgreater(\x,\wl@end)}\edef\wl@x@ng{\pgfmathresult}% \pgfmathparse{and(\wl@x@nl,\wl@x@ng)}\edef\wl@plot@point{\pgfmathresult}% \ifnum\wl@plot@point=1% - \pgfmathparse{(\x-\wlbegin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% - \colorlet{wlcolor}{wltemp!\wllineint!black} - \draw[wlcolor,line width=\wllinewidth] (\wl@currentx,0) -- ++(0,\wlheight);% + \pgfmathparse{(\x-\wl@begin)*\xscale}\edef\wl@currentx{\pgfmathresult pt}% + \colorlet{wlcolor}{wl@temp!\wl@lineint!black}% + \draw[wlcolor,line width=\wl@linewidth] (\wl@currentx,0) -- ++(0,\wl@height);% \fi% }% \fi% \fi% -} +\ifwl@RSvalue% NEW +\ifnum\wl@begin>\wl@end% +\ifwl@drawaxis\pgfmathparse{-\wl@width-2.5*\@wl@axis@height}\edef\wl@redshiftinfo@x{\pgfmathresult pt}% +\else\pgfmathparse{-\wl@width}\edef\wl@redshiftinfo@x{\pgfmathresult pt}\fi% +\else% +\ifwl@drawaxis\pgfmathparse{-2.5*\@wl@axis@height}\edef\wl@redshiftinfo@x{\pgfmathresult pt}% +\else\edef\wl@redshiftinfo@x{0pt}\fi% +\fi% +\ifwl@drawaxis\pgfmathparse{-.75*\@wl@axis@height-1.3*\ht0-2pt}\edef\wl@redshiftinfo@y{\pgfmathresult pt}\else\edef\wl@redshiftinfo@y{0pt}\fi% +\node[below right,inner xsep=0pt,font=\wl@axisfont] at (\wl@redshiftinfo@x,\wl@redshiftinfo@y) {\wl@redshiftinfo};% +\fi% NEW +}% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % return: integer with position (e.g. '0' for west, ... ) -\def\wl@get@label@position{% +\def\wl@get@label@position{\ignorespaces% \wl@countc=0% \@for\@mylabel:=\wl@label@position@list% \do{% - \ifx\@mylabel\wllabelposition\edef\wl@label@position{\the\wl@countc}\fi% + \ifx\@mylabel\wl@labelposition\edef\wl@label@position{\the\wl@countc}\fi% \advance\wl@countc by1% }% }% +% NEW ---------------------- +% redshift: lambda(obs)=lambda(emit)*{(1+v/c*cos(theta))/sqrt(1-v^2/c^2)} ---> Relativistic Doppler +% vbar-> v/c -> normalized velocity of the source (e.g. '0.9' for v=0.9c ) +% theta ->angle between the direction of relative motion of the source and the direction of emission in the observer's frame (zero angle is directly away from the observer) +\def\wl@processredshiftkey#1{\ignorespaces% +\wl@redshiftfalse% +\edef\wl@redshiftkey@expand{#1}% to expand a value passed by a macro (not necessary if the user provided a number...) +\expandafter\wl@redshiftkey@firstchar\wl@redshiftkey@expand\relax% +\ifcat1\wl@@RedShift\relax% +\pgfmathparse{1+#1}\relax% +\edef\wl@UMMAISZ{\pgfmathresult}\wl@redshifttrue% +\edef\wl@redshiftinfo{redshift z=#1}% +\else% +\edef\wl@redshiftkey@expand{#1}% +\expandafter\wl@process@redshift\wl@redshiftkey@expand\relax% +\fi% +}% +\def\wl@redshiftkey@firstchar#1#2\relax{\edef\wl@@RedShift{#1}}% +\def\wl@process@redshift#1=#2/#3\relax{% +\edef\wl@redshifttest{#1}% +\ifx\wl@redshifttest\wl@redshift@D\relax% +\pgfmathparse{(1+#2*cos(#3))/sqrt(1-#2*#2)}% +\edef\wl@UMMAISZ{\pgfmathresult}\wl@redshifttrue% +\pgfmathparse{#2*cos(#3))/sqrt(1-#2*#2)}% +\edef\wl@redshiftinfo{Relativistic Doppler redshift z=\pgfmathresult\ (\mbox{v\hskip.1ex=\hskip.1ex#2\hskip.1exc\hskip.5ex;\hskip.5ex\ensuremath{\theta}\hskip.1ex=\hskip.1ex#3\ensuremath{^\circ}})}% +\fi% +}% +% \wl@utils@redshift --------------------------------------------------------------------- +% returns the wllist with the shift computed +\def\wl@utils@redshift{\ignorespaces% + \let\wt@backlist@@\wl@list@@\relax% + \let\wl@list@@\@empty\relax% + \wl@firsttrue\relax% + \ifwl@intensity% list (lambda/intensity) + \foreach \x/\y in \wt@backlist@@{% + \pgfmathparse{\x*\wl@UMMAISZ}\edef\@currentline@wl{\pgfmathresult}% + \ifwl@first\global\wl@addt@list{\wl@list@@}{\@currentline@wl/\y}\else% + \global\wl@addt@list{\wl@list@@}{,\@currentline@wl/\y}\fi% + \ifwl@first\global\wl@firstfalse\fi% + }% + \else% list (lambda) + \foreach \x in \wt@backlist@@{% + \pgfmathparse{\x*\wl@UMMAISZ}\edef\@currentline@wl{\pgfmathresult}% + \ifwl@first\global\wl@addt@list{}{\@currentline@wl}\else% + \global\wl@addt@list{\wl@list@@}{,\@currentline@wl}\fi% + \ifwl@first\global\wl@firstfalse\fi% + }% + \fi% +}% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -636,9 +915,9 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in % The red, green and blue values (RGB) are % assumed to vary linearly with wavelength (for GAMMA=1). %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\newdimen\wl%wavlength +\newdimen\wl%wavelength \newdimen\wl@i%intensity -\newdimen\wl@gamma%gamma +\newdimen\@wl@gamma%gamma \newdimen\wlc@lorr%red (0. - 1) \newdimen\wlc@lorg%green (0. - 1) \newdimen\wlc@lorb%blue (0. - 1) % wavelength to rgb values @@ -649,48 +928,48 @@ relative intensity threshold,absorption=false,axis=false,label=false,relative in %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % \wlcolor{wavelength} -\def\wlcolor#1{% +\def\wlcolor#1{\ignorespaces% \wl=#1pt% -\wl@gamma=\wlgamma pt% +\@wl@gamma=\wl@gamma pt% % compute the rgb components -\ifdim\wl<380pt\\ Err: wavelength must be graeter or equal to 380nm\else% +\ifdim\wl<10pt\relax\PackageWarning{pgf-spectra}{(#1nm) wavelength out of range ignored. The wavelength must be graeter or equal to 10nm (EUV)...}\else% NEW +\ifdim\wl<379.99999pt\relax\else%% NEW \ifdim\wl<440pt\wlc@lorr=440pt\advance\wlc@lorr by-\wl\divide\wlc@lorr by60\wlc@lorg=0pt\wlc@lorb=1pt\else% \ifdim\wl<490pt\wlc@lorr=0pt\wlc@lorg=\wl\advance\wlc@lorg by-440pt\divide\wlc@lorg by50\wlc@lorb=1pt\else% \ifdim\wl<510pt\wlc@lorr=0pt\wlc@lorg=1pt\wlc@lorb=510pt\advance\wlc@lorb by-\wl\divide\wlc@lorb by20\else% \ifdim\wl<580pt\wlc@lorr=\wl\advance\wlc@lorr by-510pt\divide\wlc@lorr by70\wlc@lorg=1pt\wlc@lorb=0pt\else% \ifdim\wl<645pt\wlc@lorr=1pt\wlc@lorg=645pt\advance\wlc@lorg by-\wl\divide\wlc@lorg by65\wlc@lorb=0pt\else% \ifdim\wl<780.00001pt\wlc@lorr=1pt\wlc@lorg=0pt\wlc@lorb=0pt\else% -\\ Err: wavelength must be lesser or equal to 780nm% -\fi\fi\fi\fi\fi\fi\fi% +\ifdim\wl>4000pt\relax\PackageWarning{pgf-spectra}{invalid wavelength (#1nm). The wavelength must be lesser or equal to 4000nm (NIR)...}% NEW +\relax% +\fi\fi\fi\fi\fi\fi\fi\fi\fi% % intensity correction at vision limits -\ifdim\wl>700pt\wl@i=780pt\advance\wl@i by-\wl\divide\wl@i by80\multiply\wl@i by7\advance\wl@i by3pt\divide\wl@i by10\else% -\ifdim\wl<420pt\wl@i=\wl\advance\wl@i by-380pt\divide\wl@i by40\multiply\wl@i by7\advance\wl@i by3pt\divide\wl@i by10\else% +\ifdim\wl>700pt\ifdim\wl<780.00001pt\wl@i=780pt\advance\wl@i by-\wl\divide\wl@i by80\multiply\wl@i by7\advance\wl@i by3pt\divide\wl@i by10\fi\else% NEW +\ifdim\wl<420pt\ifdim\wl>379.99999pt\wl@i=\wl\advance\wl@i by-380pt\divide\wl@i by40\multiply\wl@i by7\advance\wl@i by3pt\divide\wl@i by10\fi\else% \wl@i=1pt% \fi\fi% %apply intensity at vision limits correction and gamma -\pgfmathparse{\wlc@lorr*\wl@i^\wl@gamma}\edef\wl@red{\pgfmathresult}% -\pgfmathparse{\wlc@lorg*\wl@i^\wl@gamma}\edef\wl@green{\pgfmathresult}% -\pgfmathparse{\wlc@lorb*\wl@i^\wl@gamma}\edef\wl@blue{\pgfmathresult}% -\definecolor{wltemp}{rgb}{\wl@red,\wl@green,\wl@blue}% -\colorlet{wlcolor}{wltemp} +\ifdim\wl<380pt\colorlet{wl@temp}{\wl@UVcolor}\else\ifdim\wl>780pt\colorlet{wl@temp}{\wl@IRcolor}\else% NEW +\pgfmathparse{\wlc@lorr*\wl@i^\@wl@gamma}\edef\wl@red{\pgfmathresult}% +\pgfmathparse{\wlc@lorg*\wl@i^\@wl@gamma}\edef\wl@green{\pgfmathresult}% +\pgfmathparse{\wlc@lorb*\wl@i^\@wl@gamma}\edef\wl@blue{\pgfmathresult}% +\definecolor{wl@temp}{rgb}{\wl@red,\wl@green,\wl@blue}% +\fi\fi% NEW +\colorlet{wlcolor}{wl@temp} }% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\def\wl@elt@search#1#2#3#4{% +\def\wl@elt@search#1#2#3#4{\ignorespaces% % #1 Chemical Symbol, entered by USER % #2 Chemical Symbol to compare to, e.g. Na % #3 Emission Lines Data (or error message) % #4 Imax -\ifthenelse{\equal{\expandafter\noexpand#1}{\expandafter\noexpand#2}}% - {% true - \def\wl@elt@chemsym{#2}% set chemical symbol - \def\wl@elt@elemdata{#3}% set element lines data - \def\wl@elt@Imax{#4}% set element Imax - }% - {}% false +\edef\wl@CS@user{#1}\edef\wl@CS@comp{#2}\relax% New +\ifx\wl@CS@user\wl@CS@comp\relax% New -> was \iftthenelse{... +\def\wl@elt@chemsym{#2}% set chemical symbol +\def\wl@elt@elemdata{#3}% set element lines data +\def\wl@elt@Imax{#4}% set element Imax +\fi% }% -\input{spectra.data.tex} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -\endinput
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