l716.thermochemistry.temperature

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Gaussian log

id

l716.thermochemistry.temperature

repeat

*

pattern

\s*Temperature.*Kelvin.*

endPattern

.*

endPattern2

~

xml:base

l716/thermochemistry/l716.thermochemistry.temperature.xml

Input

Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.

Output text

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

Template definition

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