Skip to content

l716.thermochemistry.rottemp ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceGaussian log
idl716.thermochemistry.rottemp
repeat*
pattern\s*Rotational temperatures? \(Kelvin\).*
endPattern.*
endPattern2~
xml:basel716/thermochemistry/l716.thermochemistry.rottemp.xml

Input ​

 Rotational temperatures (Kelvin)      7.55064     7.55064     7.55064

Output text ​

xml
<comment class="example.output" id="l716.thermochemistry.rottemp">
    <module cmlx:templateRef="l716.thermochemistry.rottemp">
      <array dataType="xsd:double" size="3" dictRef="cc:rottemp" cmlx:templateRef="rottemp">7.55064 7.55064 7.55064</array>
    </module>
  </comment>

Template definition ​

xml
<record id="rottemp">\s*Rotational temperatures? \(Kelvin\)\s*&#123;1_3F,cc:rottemp&#125;\s*</record>
<transform process="pullupSingleton" xpath="./cml:list" />