l202.stoich

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
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

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

Template definition

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