l202.stoich

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Gaussian log
id l202.stoich
name stoichiometry
repeat *
pattern \s*Stoichiometry.*s*
endPattern \s*Largest concise.*
endOffset 1
xml:base l202/l202.stoich.xml

Input.

Stoichiometry    CH4
Framework group  TD[O(C),4C3(H)]
Deg. of freedom     1
Full point group                 TD      NOp  24
Largest Abelian subgroup         D2      NOp   4
Largest concise Abelian subgroup D2      NOp   4

Output text.

<comment class="example.output" id="l202.stoich">
    <module cmlx:templateRef="l202.stoich">
      <scalar dataType="xsd:string" dictRef="g:stoichiometry" cmlx:templateRef="stoich">CH4</scalar>
      <scalar dataType="xsd:string" dictRef="cc:frameworkgroup" cmlx:templateRef="framework">TD[O(C),4C3(H)]</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:degfreedom" cmlx:templateRef="degfreedom">1</scalar>
      <scalar dataType="xsd:string" dictRef="cc:pointgroup">TD</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:operatorcount">24</scalar>
      <scalar dataType="xsd:string" dictRef="cc:largestabelian">D2</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:operatorcount">4</scalar>
      <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">D2</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:operatorcount">4</scalar>
    </module>
  </comment>

Template definition.

<record id="stoich">\s*Stoichiometry\s*{A,g:stoichiometry}</record>
<record id="framework">\s*Framework group\s*{A,cc:frameworkgroup}</record>
<record id="degfreedom">\s*Deg\. of freedom\s*{I,cc:degfreedom}</record>
<record id="pointgroup">\s*Full point group\s*{A,cc:pointgroup}NOp{I,cc:operatorcount}</record>
<record id="largestabelian">\s*Largest Abelian subgroup\s*{A,cc:largestabelian}NOp{I,cc:operatorcount}</record>
<record id="largestconciseabelian">\s*Largest concise Abelian subgroup\s*{A,cc:largestconciseabelian}NOp{I,cc:operatorcount}</record>
<transform process="pullupSingleton" xpath="./cml:list" />
<transform process="pullup" xpath="./cml:list/cml:scalar" />
<transform process="delete" xpath="./cml:list[count(*)=0]" />