l103.itemconverge

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Gaussian log

id

l103.itemconverge

repeat

*

pattern

\s*Item\s+Value.*

endOffset

1

endPattern

\s*RMS\s+Displacement.*

xml:base

l103/l103.itemconverge.xml

Input

        Item               Value     Threshold  Converged?
Maximum Force            0.012566     0.000450     NO
RMS     Force            0.007948     0.000300     NO
Maximum Displacement     0.038691     0.001800     NO
RMS     Displacement     0.024470     0.001200     NO

Output text

 1<comment class="example.output" id="l103.itemconverge">
 2    <module cmlx:templateRef="l103.itemconverge">
 3      <list cmlx:lineCount="4" cmlx:templateRef="row">
 4        <array dataType="xsd:string" dictRef="g:item" />
 5        <array dataType="xsd:double" dictRef="g:value" size="4">4.5E-4 3.0E-4 0.0018 0.0012</array>
 6        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.0 0.0 0.0 0.0</array>
 7        <array dataType="xsd:string" dictRef="g:converged" size="4">NO NO NO NO</array>
 8      </list>
 9    </module>
10  </comment>

Template definition

1<record />
2<record id="row" repeat="*" makeArray="true">\s*{X,g:item}\s+{F,g:value}{F,g:threshold}{A,g:converged}\s*</record>
3<transform process="delete" xpath=".//cml:list[count(*)=0]" />
4<transform process="delete" xpath=".//cml:list[count(*)=0]" />