l716.thermochemistry.vibtemp

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Gaussian log

id

l716.thermochemistry.vibtemp

repeat

*

pattern

\s*Vibrational temperatures.*

endPattern

\s*

xml:base

l716/thermochemistry/l716.thermochemistry.vibtemp.xml

Input

Vibrational temperatures:   1976.16  1976.16  1976.16  2293.35  2293.35
         (Kelvin)           4393.44  4552.17  4552.17  4552.17

Output text

1<comment class="example.output" id="l716.thermochemistry.vibtemp">
2    <module cmlx:templateRef="l716.thermochemistry.vibtemp">
3      <array dataType="xsd:double" size="9" dictRef="cc:vibtemp">1976.16 1976.16 1976.16 2293.35 2293.35 4393.44 4552.17 4552.17 4552.17</array>
4    </module>
5  </comment>

Template definition

1<record id="vibtemp">\s*Vibrational temperatures: \s*{1_5F,cc:vibtemp}\s*</record>
2<record id="vibtemp" repeat="*">\s*(?:\(Kelvin\))?\s*{1_5F,x:x}\s*</record>
3<transform process="joinArrays" xpath=".//cml:array" />
4<transform process="pullup" xpath=".//cml:array" />
5<transform process="delete" xpath="./cml:list" />