l716.thermochemistry.temperature

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Gaussian log
id l716.thermochemistry.temperature
repeat *
pattern \s*Temperature.*Kelvin.*
endPattern .*
endPattern2 ~
xml:base l716/thermochemistry/l71 6.thermochemistry.temperature.xml

Input.

Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.

Output text.

<comment class="example.output" id="l716.thermochemistry.temperature">
    <module cmlx:templateRef="l716.thermochemistry.temperature">
      <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
      <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.0</scalar>
    </module>
  </comment>

Template definition.

<record id="temperature">\s*Temperature{F,cc:temp,u:kelvin} Kelvin\.\s+Pressure{F,cc:press,u:atm} Atm\.\s*</record>
<transform process="pullup" xpath=".//cml:scalar" repeat="2" />
<transform process="addUnits" xpath=".//cml:scalar[@dictRef='cc:temp']" value="si:k" />
<transform process="addUnits" xpath=".//cml:scalar[@dictRef='cc:press']" value="nonsi:atm" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />