l716.thermochemistry.rotsymnum ​
Implementation level ​
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
Template attributes ​
Attribute | Value |
---|---|
source | Gaussian log |
id | l716.thermochemistry.rotsymnum |
repeat | * |
pattern | \s*Rotational symmetry number.* |
endPattern | .* |
endPattern2 | ~ |
xml:base | l716/thermochemistry/l716.thermochemistry.rotsymnum.xml |
Input ​
Rotational symmetry number 12.
Output text ​
xml
<comment class="example.output" id="l716.thermochemistry.rotsymnum">
<module cmlx:templateRef="l716.thermochemistry.rotsymnum">
<scalar dataType="xsd:integer" dictRef="cc:symmnumber">12</scalar>
</module>
</comment>
Template definition ​
xml
<record id="number">\s*Rotational symmetry number\s*{I,cc:symmnumber}\.\s*</record>
<transform process="pullup" xpath=".//cml:scalar" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />