l716.thermochemistry.top

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Gaussian log

id

l716.thermochemistry.top

repeat

*

pattern

\s*This molecule is.*

endPattern

.*

endPattern2

~

xml:base

l716/thermochemistry/l716.thermochemistry.top.xml

Input

This molecule is a spherical top.

Output text

1<comment class="example.output" id="l716.thermochemistry.top">
2    <module cmlx:templateRef="l716.thermochemistry.top">
3      <scalar dataType="xsd:string" dictRef="g:top">spherical</scalar>
4    </module>
5  </comment>

Template definition

1<record id="type">\s*This molecule is an?\s*{A,g:top}\s*top\.\s*</record>
2<transform process="pullup" xpath=".//cml:scalar" />
3<transform process="delete" xpath=".//cml:list[count(*)=0]" />
4<transform process="delete" xpath=".//cml:list[count(*)=0]" />