tikzorbital (5mar15)

git-svn-id: svn://tug.org/texlive/trunk@36439 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 85 insertions, 6 deletions

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
 }