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l716.thermochemistry.top-d3e22014.rst

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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

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

Template definition

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