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l202.stoich ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceGaussian log
idl202.stoich
namestoichiometry
repeat*
pattern\s*Stoichiometry.*\s*
endPattern\s*Largest concise.*
endOffset1
xml:basel202/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 ​

xml
<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 ​

xml
<record id="stoich">\s*Stoichiometry\s*&#123;A,g:stoichiometry&#125;</record>
<record id="framework">\s*Framework group\s*&#123;A,cc:frameworkgroup&#125;</record>
<record id="degfreedom">\s*Deg\. of freedom\s*&#123;I,cc:degfreedom&#125;</record>
<record id="pointgroup">\s*Full point group\s*&#123;A,cc:pointgroup&#125;NOp&#123;I,cc:operatorcount&#125;</record>
<record id="largestabelian">\s*Largest Abelian subgroup\s*&#123;A,cc:largestabelian&#125;NOp&#123;I,cc:operatorcount&#125;</record>
<record id="largestconciseabelian">\s*Largest concise Abelian subgroup\s*&#123;A,cc:largestconciseabelian&#125;NOp&#123;I,cc:operatorcount&#125;</record>
<transform process="pullupSingleton" xpath="./cml:list" />
<transform process="pullup" xpath="./cml:list/cml:scalar" />
<transform process="delete" xpath="./cml:list[count(*)=0]" />