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-rw-r--r--Master/texmf-dist/doc/latex/tikzorbital/README.rst31
-rw-r--r--Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.pdfbin189684 -> 197618 bytes
-rw-r--r--Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.tex119
-rw-r--r--Master/texmf-dist/tex/latex/tikzorbital/tikzorbital.sty91
4 files changed, 187 insertions, 54 deletions
diff --git a/Master/texmf-dist/doc/latex/tikzorbital/README.rst b/Master/texmf-dist/doc/latex/tikzorbital/README.rst
new file mode 100644
index 00000000000..3a1efb94894
--- /dev/null
+++ b/Master/texmf-dist/doc/latex/tikzorbital/README.rst
@@ -0,0 +1,31 @@
+-------------------
+tikzorbital package
+-------------------
+
+:Licence: Latex project public licence http://www.latex-project.org/lppl.txt
+:Author: Germain Salvato-Vallverdu <germain.vallverdu@univ-pau.fr>
+:Date: decembre 2012
+:CTAN: http://www.ctan.org/pkg/tikzorbital
+:gitHub: https://github.com/gVallverdu/tikzorbital
+
+short description
+-----------------
+
+The tikzorbital package provides several LaTeX macros in order to draw
+easily molecular diagrams and atomic orbital of type s, p and d inside
+tikzpicture environment.
+
+macros
+------
+
+All macros have to be used inside tikzpicture environment :
+
+ * ``\drawLevel`` : draw a level with zero, one or two electrons drawn as up and arrows. This command is used for molecular orbital diagrams.
+ * ``\orbital`` : draw atomic orbital of type s, p or d.
+ * ``\satom`` : quickly place an atom with several lobes around it.
+
+bugs and suggestion
+-------------------
+
+Feel free to contact me for any bugs, comments or suggestions.
+
diff --git a/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.pdf b/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.pdf
index 771593b6f16..4810ace65b2 100644
--- a/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.pdf
+++ b/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.tex b/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.tex
index 3053542a8e4..6f1d08ba14c 100644
--- a/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.tex
+++ b/Master/texmf-dist/doc/latex/tikzorbital/tikzorbital.tex
@@ -336,18 +336,25 @@ Example \ref{expl:all_OA} shows all atomic orbital types available. In order to
\node[above] at (2,4) {p$_y$};
\orbital[pos = {(4,3)}]{pz}
\node[above] at (4,4) {p$_z$};
-
- \orbital[pos = {(0,0)}]{dxy}
- \node[above] at (0,1) {d$_{xy}$};
- \orbital[pos = {(2,0)}]{dxz}
- \node[above] at (2,1) {d$_{xz}$};
- \orbital[pos = {(4,0)}]{dyz}
- \node[above] at (4,1) {d$_{yz}$};
-
- \orbital[pos = {(0,-2)}]{dx2y2}
- \node[below] at (0,-3) {d$_{x^2-y^2}$};
- \orbital[pos = {(2,-2)}]{dz2}
- \node[below] at (2,-3) {d$_{z^2}$};
+
+ \orbital[pos = {(0,0)}]{-px}
+ \node[above] at (0,1) {-p$_x$};
+ \orbital[pos = {(2,0)}]{-py}
+ \node[above] at (2,1) {-p$_y$};
+ \orbital[pos = {(4,0)}]{-pz}
+ \node[above] at (4,1) {-p$_z$};
+
+ \orbital[pos = {(0,-3)}]{dxy}
+ \node[above] at (0,-2) {d$_{xy}$};
+ \orbital[pos = {(2,-3)}]{dxz}
+ \node[above] at (2,-2) {d$_{xz}$};
+ \orbital[pos = {(4,-3)}]{dyz}
+ \node[above] at (4,-2) {d$_{yz}$};
+
+ \orbital[pos = {(0,-5)}]{dx2y2}
+ \node[below] at (0,-6) {d$_{x^2-y^2}$};
+ \orbital[pos = {(2,-5)}]{dz2}
+ \node[below] at (2,-6) {d$_{z^2}$};
\end{tikzpicture}
\end{lstlisting}
\end{minipage}
@@ -366,18 +373,25 @@ Example \ref{expl:all_OA} shows all atomic orbital types available. In order to
\node[above] at (2,4) {p$_y$};
\orbital[pos = {(4,3)}]{pz}
\node[above] at (4,4) {p$_z$};
-
- \orbital[pos = {(0,0)}]{dxy}
- \node[above] at (0,1) {d$_{xy}$};
- \orbital[pos = {(2,0)}]{dxz}
- \node[above] at (2,1) {d$_{xz}$};
- \orbital[pos = {(4,0)}]{dyz}
- \node[above] at (4,1) {d$_{yz}$};
-
- \orbital[pos = {(0,-2)}]{dx2y2}
- \node[below] at (0,-3) {d$_{x^2-y^2}$};
- \orbital[pos = {(2,-2)}]{dz2}
- \node[below] at (2,-3) {d$_{z^2}$};
+
+ \orbital[pos = {(0,0)}]{-px}
+ \node[above] at (0,1) {-p$_x$};
+ \orbital[pos = {(2,0)}]{-py}
+ \node[above] at (2,1) {-p$_y$};
+ \orbital[pos = {(4,0)}]{-pz}
+ \node[above] at (4,1) {-p$_z$};
+
+ \orbital[pos = {(0,-3)}]{dxy}
+ \node[above] at (0,-2) {d$_{xy}$};
+ \orbital[pos = {(2,-3)}]{dxz}
+ \node[above] at (2,-2) {d$_{xz}$};
+ \orbital[pos = {(4,-3)}]{dyz}
+ \node[above] at (4,-2) {d$_{yz}$};
+
+ \orbital[pos = {(0,-5)}]{dx2y2}
+ \node[below] at (0,-6) {d$_{x^2-y^2}$};
+ \orbital[pos = {(2,-5)}]{dz2}
+ \node[below] at (2,-6) {d$_{z^2}$};
\end{tikzpicture}
\end{minipage}
\caption{All the atomic orbitals available from the command \cmd{orbital}.}
@@ -387,15 +401,17 @@ Example \ref{expl:all_OA} shows all atomic orbital types available. In order to
\clearpage
\section{Atom and hybrid orbitals}
-The package \package provides the command \cmd{atom} in order to quickly draw an atom with several orbital lobes around it. The general syntax of the command is :
+The package \package provides the command \cmd{satom} in order to quickly draw an atom with several orbital lobes around it. The general syntax of the command is :
-\cmd{atom}\opt{options}\{\marg{lobes}\}
+\cmd{satom}\opt{options}\{\marg{lobes}\}
The \marg{lobes} argument is a comma separated list of lobe definition with the syntax
-\texttt{color/rotation-angle/anchor/number of electrons}
+\texttt{color/rotation-angle/anchor/number of electrons/scale}
-For each element of the list, the command \cmd{atom} draw a lobe at the given anchor, with the given color , rotation and number of electrons.
+For each element of the list, the command \cmd{satom} draw a lobe at the given
+anchor, with the given color, rotation, number of electrons and applies the
+scaling factor.
The following options are available in order to customize the drawing :
@@ -411,58 +427,65 @@ The following options are available in order to customize the drawing :
\item \opt{opacity} : opacity of the lobe drawn around the atom.\\
\texttt{default = 0.8}
+
+ \item \opt{scale} : A global scaling factor of the whole atom and lobes.\\
+ \texttt{default = 1.}
\end{description}
-Example \ref{exple:atom} show several applications of the command \cmd{atom}.
+For backward compatibility the \cmd{atom} command is still available. It works
+in the same way but without the possibility of applying a scaling factor
+individually on each lobe.
+
+Example \ref{exple:atom} show several applications of the command \cmd{satom}.
\begin{example}[htbp]
\begin{minipage}{.78\textwidth}
\begin{lstlisting}
\begin{tikzpicture}
- \atom[color = orange, name = S]{orange/0/east/2}
+ \satom[color=orange, name=S]{orange/0/east/2/1.}
\end{tikzpicture}
\end{lstlisting}
\begin{lstlisting}
\begin{tikzpicture}
- \atom[name = Cl, color = blue]{
+ \atom[name=Cl, color=blue, scale=1.2]{
blue/90/north/2,
blue/0/east/1,
blue/270/south/2,
blue/180/west/2}
- \atom[name = H, color = gray, pos = {(1.8,0)}]{gray/180/west/1}
+ \atom[name=H, color=gray, pos={(1.8,0)}, scale=.8]{gray/180/west/1}
\end{tikzpicture}
\end{lstlisting}
\begin{lstlisting}
\begin{tikzpicture}
- \atom[name = B, color = green!50!black]{
- red/90/north/2,
- blue/0/east/1,
- orange/270/south/0,
- green/180/west/1}
+ \satom[name=B, color=green!50!black]{
+ red/90/north/2/.8,
+ blue/0/east/1/.9,
+ orange/270/south/0/1,
+ green/180/west/1/1.2}
\end{tikzpicture}
\end{lstlisting}
\end{minipage}
\begin{minipage}{.21\textwidth}
\begin{tikzpicture}
- \atom[color = orange, name = S]{orange/0/east/2}
+ \satom[color=orange, name=S]{orange/0/east/2/1.}
- \atom[name = Cl, color = blue, pos = {(0,-3)}]{
+ \atom[name=Cl, color=blue, pos={(0,-3)}, scale=1.2]{
blue/90/north/2,
blue/0/east/1,
blue/270/south/2,
blue/180/west/2}
- \atom[name = H, color = gray, pos = {(1.8,-3)}]{gray/180/west/1}
+ \atom[name=H, color=gray, pos={(1.8,-3)}, scale=.8]{gray/180/west/1}
- \atom[name = B, color = green!50!black, pos = {(0,-7)}]{
- red/90/north/2,
- blue/0/east/1,
- orange/270/south/0,
- green/180/west/1}
+ \satom[name=B, color=green!50!black, pos={(0,-7)}]{
+ red/90/north/2/.8,
+ blue/0/east/1/0.9,
+ orange/270/south/0/1,
+ green/180/west/1/1.2}
\end{tikzpicture}
\end{minipage}
-\caption{Utilization example of the \cmd{atom} command.}
+\caption{Utilization example of the \cmd{satom} command.}
\label{exple:atom}
\end{example}
@@ -530,6 +553,6 @@ no default are given. For example, the $d_{yz}$ atomic orbital is defined as fol
\section{Source code}
-\lstinputlisting{../../../tex/latex/tikzorbital/tikzorbital.sty}
+\lstinputlisting{./tikzorbital.sty}
-\end{document} \ No newline at end of file
+\end{document}
diff --git a/Master/texmf-dist/tex/latex/tikzorbital/tikzorbital.sty b/Master/texmf-dist/tex/latex/tikzorbital/tikzorbital.sty
index e9bffcbe108..1794b184877 100644
--- a/Master/texmf-dist/tex/latex/tikzorbital/tikzorbital.sty
+++ b/Master/texmf-dist/tex/latex/tikzorbital/tikzorbital.sty
@@ -14,6 +14,11 @@
%
% Feel free to contact me if you have any ideas, suggestions or bugs report !
%
+% Change
+% ------
+% 27/02/2013 : add -px, -py, -pz orbital type
+% 05/03/2015 : add satom macro, with scaling options for each lobe
+%
% -----------------------------------------------------------------------------
\NeedsTeXFormat{LaTeX2e}
\ProvidesPackage{tikzorbital}[2012/12/05 draw atomic orbitals and molecular diagrams with tikz]
@@ -149,7 +154,7 @@
\begin{pgfonlayer}{background}
\draw[draw = drawColor, outer color = #4, inner color = innerColor,
opacity = #6, execute macro = \orbitalDrawing]
- #1 .. controls ++ (#3 * 1, #3 * 1) and ++ (#3 * 1, - #3 * 1) .. #1;
+ #1 .. controls ++ (#3, #3) and ++ (#3, - #3) .. #1;
\end{pgfonlayer}
%Coordinates of the electrons
@@ -240,16 +245,30 @@
\@alobe{\orbital@pos}{0}{\orbital@scale}{\orbital@pcolor}{0}{\orbital@opacity}
\@alobe{\orbital@pos}{180}{\orbital@scale}{\orbital@ncolor}{0}{\orbital@opacity}
}{
+ \ifthenelse{\equal{\orbital@type}{-py}}{
+ \@alobe{\orbital@pos}{180}{\orbital@scale}{\orbital@pcolor}{0}{\orbital@opacity}
+ \@alobe{\orbital@pos}{0}{\orbital@scale}{\orbital@ncolor}{0}{\orbital@opacity}
+ }{
\ifthenelse{\equal{\orbital@type}{pz}}{
\@alobe{\orbital@pos}{90}{\orbital@scale}{\orbital@pcolor}{0}{\orbital@opacity}
\@alobe{\orbital@pos}{270}{\orbital@scale}{\orbital@ncolor}{0}{\orbital@opacity}
}{
+ \ifthenelse{\equal{\orbital@type}{-pz}}{
+ \@alobe{\orbital@pos}{270}{\orbital@scale}{\orbital@pcolor}{0}{\orbital@opacity}
+ \@alobe{\orbital@pos}{90}{\orbital@scale}{\orbital@ncolor}{0}{\orbital@opacity}
+ }{
\ifthenelse{\equal{\orbital@type}{px}}{
\node[base, outer color = \orbital@ncolor, scale = \orbital@scale * 1.8,
xshift = 2pt, yshift = 2pt] at \orbital@pos {};
\node[base, outer color = \orbital@pcolor, scale = \orbital@scale * 1.8]
at \orbital@pos {};
}{
+ \ifthenelse{\equal{\orbital@type}{-px}}{
+ \node[base, outer color = \orbital@pcolor, scale = \orbital@scale * 1.8,
+ xshift = 2pt, yshift = 2pt] at \orbital@pos {};
+ \node[base, outer color = \orbital@ncolor, scale = \orbital@scale * 1.8]
+ at \orbital@pos {};
+ }{
\ifthenelse{\equal{\orbital@type}{dyz}}{
\@alobe{\orbital@pos}{45}{\orbital@scale}{\orbital@pcolor}{0}{\orbital@opacity}
\@alobe{\orbital@pos}{135}{\orbital@scale}{\orbital@ncolor}{0}{\orbital@opacity}
@@ -294,7 +313,7 @@
at \orbital@pos {};
}{
\node[red] at \orbital@pos {orbital type unknown};
- }}}}}}}}}}
+ }}}}}}}}}}}}}
\endgroup
}
@@ -323,7 +342,8 @@
% -----------------------------------------------------------------------------
% commande \atom[options]{lobes}
% -----------------------------------------------------------------------------
-% quickly draw an atom with several orbital lobes around it
+% quickly draw an atom with several orbital lobes around it.
+% DEPRECATED, use satom insteed.
%
% argument
% lobes : A comma separated list lobe definition with
@@ -334,6 +354,7 @@
% name : name of the atom, also used to label the node
% color : color of the atom
% opacity : opacity of the orbital
+% scale : scaling factor
% -----------------------------------------------------------------------------
% define options
@@ -350,8 +371,11 @@
% opacity of the orbitals
opacity/.store in = \atom@opacity,
opacity/.default = .8,
+% scaling factor
+ scale/.store in = \atom@scale,
+ scale/.default = 1.,
% execute options
- pos, name, color, opacity
+ pos, name, color, opacity, scale
}
% atom definition
@@ -360,10 +384,65 @@
\pgfkeys{/tikzorbital/atom/.cd, #1}
\colorlet{atomColor}{\atom@color}
\node[shape = circle, thick, inner sep = 0pt, minimum size = 1.5em,
- draw = atomColor!40, color = atomColor!70!gray, fill = atomColor!20]
+ draw = atomColor!40, color = atomColor!70!gray, fill = atomColor!20,
+ scale = \atom@scale]
at \atom@pos (\atom@name) {\atom@name};
+ \def\s{1.}
\foreach \acolor/\rot/\anchor/\Ne in {#2} {
- \@alobe{(\atom@name.\anchor)}{\rot}{1.5}{\acolor}{\Ne}{\atom@opacity}
+ \@alobe{(\atom@name.\anchor)}{\rot}{1.5*\atom@scale}{\acolor}{\Ne}{\atom@opacity}
+ }
+ \endgroup
+}
+
+% -----------------------------------------------------------------------------
+% commande \satom[options]{lobes}
+% -----------------------------------------------------------------------------
+% quickly draw an atom with several orbital lobes around it
+%
+% argument
+% lobes : A comma separated list lobe definition with
+% color/rotation-angle/anchor/number of electrons/scale
+%
+% options
+% pos : position of the atom
+% name : name of the atom, also used to label the node
+% color : color of the atom
+% opacity : opacity of the orbital
+% scale : global scaling factor
+% -----------------------------------------------------------------------------
+
+% define options
+\pgfkeys{/tikzorbital/satom/.cd,
+% position of the atom
+ pos/.store in = \satom@pos,
+ pos/.default = {(0,0)},
+% atom name
+ name/.store in = \satom@name,
+ name/.default = X,
+% color of the atom
+ color/.store in = \satom@color,
+ color/.default = green,
+% opacity of the orbitals
+ opacity/.store in = \satom@opacity,
+ opacity/.default = .8,
+% scaling factor
+ scale/.store in = \satom@scale,
+ scale/.default = 1.,
+% execute options
+ pos, name, color, opacity, scale
+}
+
+% atom definition
+\newcommand{\satom}[2][]{
+ \begingroup
+ \pgfkeys{/tikzorbital/satom/.cd, #1}
+ \colorlet{atomColor}{\satom@color}
+ \node[shape = circle, thick, inner sep = 0pt, minimum size = 1.5em,
+ draw = atomColor!40, color = atomColor!70!gray, fill = atomColor!20,
+ scale = \satom@scale]
+ at \satom@pos (\satom@name) {\satom@name};
+ \foreach \acolor/\rot/\anchor/\Ne/\s in {#2} {
+ \@alobe{(\satom@name.\anchor)}{\rot}{1.5*\s*\atom@scale}{\acolor}{\Ne}{\satom@opacity}
}
\endgroup
}