bohr (10nov13)

git-svn-id: svn://tug.org/texlive/trunk@32118 c570f23f-e606-0410-a88d-b1316a301751

3 files changed, 64 insertions, 20 deletions

diff --git a/Master/texmf-dist/doc/latex/bohr/README b/Master/texmf-dist/doc/latex/bohr/README
index 0393d2d5081..c6176a24d51 100644
--- a/Master/texmf-dist/doc/latex/bohr/README
+++ b/Master/texmf-dist/doc/latex/bohr/README
@@ -1,9 +1,9 @@
 --------------------------------------------------------------------------
-the BOHR package v0.3
+the BOHR package v0.4
 
   simple atom representation according to the Bohr model
 
-2013/11/05
+2013/11/10
 --------------------------------------------------------------------------
 Clemens Niederberger
 Web:    https://bitbucket.org/cgnieder/bohr/
diff --git a/Master/texmf-dist/doc/latex/bohr/bohr_en.pdf b/Master/texmf-dist/doc/latex/bohr/bohr_en.pdf
index 59af9fe18e1..0581d8f075e 100644
--- a/Master/texmf-dist/doc/latex/bohr/bohr_en.pdf
+++ b/Master/texmf-dist/doc/latex/bohr/bohr_en.pdf
diff --git a/Master/texmf-dist/doc/latex/bohr/bohr_en.tex b/Master/texmf-dist/doc/latex/bohr/bohr_en.tex
index 3802ad3ed9c..1cf7d6bbb40 100644
--- a/Master/texmf-dist/doc/latex/bohr/bohr_en.tex
+++ b/Master/texmf-dist/doc/latex/bohr/bohr_en.tex
@@ -53,9 +53,13 @@
     DeclareAtomName,
     DeclareAtomSymbol,
     DeclareElectronDistribution,
+    elconf,
     elementname,
     elementsymbol,
+    setatomname,setatomsymbol,
+    setelectrondistribution,
     setbohr,
+    writeelconf,
     Z
   } ,
   add-silent-cmds = ch ,
@@ -213,25 +217,67 @@ There is not much more to it.  Another example using the optional argument:
   \bohr{6}{} \bohr{}{K}
 \end{example}
 
+\setbohr{atom-style = \ch}
+
 \section{Additional Commands}\label{sec:additional-commands}
 \BOHR\ provides some additional commands that return the element symbol or the
 element name to a given atomic number and vice versa.
 \begin{commands}
-  \command{elementsymbol}[\code{\{\choices{\meta{atomic number},\meta{element name}}\}}]
-    Returns the element symbol for a given atomic number or element name.
-    \verbcode+\elementsymbol{80}+: \elementsymbol{80};
-    \verbcode+\elementsymbol{rhenium}+: \elementsymbol{rhenium}.
-  \command{elementname}[\code{\{\choices{\meta{atomic number}|\meta{element symbol}}\}}]
-    Returns the element name for a given atomic number or element symbol.
-    \verbcode+\elementname{80}+: \elementname{80};
+  \command{elementsymbol}[\Marg{\choices{\meta{atomic number},\meta{element
+        name}}}]
+    Returns the element symbol for a given atomic number or element name.\\
+    \verbcode+\elementsymbol{80}+: \elementsymbol{80};\\
+    \verbcode+\elementsymbol{rhenium}+: \elementsymbol{rhenium}.\\
+    The symbols are printed according to \option{atom-style}.
+  \command{elementname}[\Marg{\choices{\meta{atomic number},\meta{element
+        symbol}}}]
+    Returns the element name for a given atomic number or element symbol.\\
+    \verbcode+\elementname{80}+: \elementname{80};\\
     \verbcode+\elementname{Rh}+: \elementname{Rh}.
-  \command{atomicnumber}[\code{\{\choices{\meta{element name}|\meta{element symbol}}\}}]
-    Returns the atomic number for a given element name or element symbol.
-    \verbcode+\atomicnumber{Hg}+: \atomicnumber{Hg};
+  \command{atomicnumber}[\Marg{\choices{\meta{element name},\meta{element
+        symbol}}}]
+    Returns the atomic number for a given element name or element symbol.\\
+    \verbcode+\atomicnumber{Hg}+: \atomicnumber{Hg};\\
     \verbcode+\atomicnumber{rhenium}+ \atomicnumber{rhenium}.
   \command{Z}
-    If this command isn't defined by some other package it is available as an
+    If this command isn't defined at begin document it is available as an
     alias of \cs{atomicnumber}.
+  \command{elconf}[\Marg{\choices{\meta{atomic number},\meta{element
+        symbol},\meta{element name}}}]
+    \sinceversion{0.4}Prints the electron configuration of the given
+    element.\\
+    \verbcode+\elconf{Cu}+: \elconf{Cu};\\
+    \verbcode+\elconf{copper}+: \elconf{copper};\\
+    \verbcode+\elconf{29}+: \elconf{29}.\\
+    Currently there is no way to get the shortened version
+    (\eg\ $[\elementsymbol{18}]3d^{10}4s^1$ for \elementname{29}).
+  \command{writeelconf}[\marg{electron distribution}]
+    \sinceversion{0.4}Writes the electron distribution \meta{electron
+      distribution}.  The input is the same as described below for
+    \cs{setelectrondistribution}.\\
+    \verbcode=\writeelconf{2,2+6,2+6+7}=: \writeelconf{2,2+6,2+6+7}.
+  \command{setatomsymbol}[\marg{atomic number}\marg{atom symbol}]
+    \sinceversion{0.4}This sets the symbol associated with the atom number
+    \meta{atomic number}.
+  \command{setatomname}[\marg{atomic number}\marg{element name}]
+    \sinceversion{0.4}This sets the element name associated with the atom
+    number \meta{atomic number}.
+  \command{setelectrondistribution}[\marg{atomic number}\marg{electron
+    distribution}]
+    \sinceversion{0.4}This set the electron distribution associated with the
+    atom number \meta{atomic number}.  \meta{electron distribution} is a
+    comma-separated list of the number of electrons placed on each shell from
+    inner to outer shell.  For example
+    \verbcode+\setelectrondistribution{3}{2,0,1}+ would be an excited
+    Lithium.  The distribution thus declared is only used for drawing when
+    \keyis{distribution-method}{quantum} but is also used by \cs{elconf}.  The
+    number of electrons with the same principal quantum number but a different
+    angular quantum number are separated with a \code{+} ordered by the
+    angular quantum number, \ie, first $s$, then $p$, then $d$, and then $f$.
+    \elementname{29}'s distribution would be declared like this:
+    \verbcode=\setelectrondistribution{29}{2,2+6,2+6+10,1}=.\par
+    A declaration with \verbcode=\setelectrondistribution{29}{2,8,18,1}= would
+    work but then \cs{elconf}\Marg{29} would give the wrong results.
 \end{commands}
 
 \begin{example}
@@ -245,22 +291,20 @@ The element properties used by \BOHR\ are defined through the following commands
   \command{DeclareAtomSymbol}[\marg{atomic number}\marg{atom symbol}]
     The package file contains 112~lines like the following:
     \verbcode+\DeclareAtomSymbol{29}{Cu}+.  They associate atomic number with
-    the corresponding atom symbol.  This command could be used to change an
-    element's symbol.
+    the corresponding atom symbol.  This is the internal equivalent to
+    \cs{setatomsymbol}.
   \command{DeclareAtomName}[\marg{atomic number}\marg{element name}]
     \BOHR\ comes with a few language files named
     \code{bohr\_elements\_\meta{language}.def}.  They contain of 112~entries
     like \verbcode+\DeclareAtomName{29}{Copper}+ which associate atomic number
-    and element name.  This command could be used to change an element's name.
+    and element name.  This is the internal equivalent to \cs{setatomname}.
   \command{DeclareElectronDistribution}[\marg{atomic number}\marg{electron
     distribution}]
     The \meta{electron distribution} is a comma separated list of integers
     which determines how the electrons are distributed on the shells when
     \keyis{distribution-method}{quantum}.  The package file contains
-    112~entries like \verbcode+\DeclareElectronDistribution{29}{2,8,18,1}+.
-    This command could be used to change an element's electron configuration.
+    112~entries like \verbcode=\DeclareElectronDistribution{29}{2,2+6,2+6+10,1}=.
+    This is the internal equivalent to \cs{setelectrondistribution}.
 \end{commands}
 
-\clearpage
-
 \end{document}