methods
Type |
Status |
---|---|
CML extraction template |
|
HTML5 representation |
Attribute |
Value |
---|---|
source |
Turbomole control file |
id |
methods |
name |
Method section |
pattern |
\s*\u0024(?i:(dft|uhf))\s* |
endPattern |
\s*\u0024.* |
endOffset |
0 |
repeat |
* |
xml:base |
methods.xml |
Input
$dft
functional pbe0
gridsize 6
weight derivatives
Output text
1<comment class="example.output" id="methods">
2 <module cmlx:lineCount="4" cmlx:templateRef="methods">
3 <scalar dataType="xsd:string" dictRef="cc:method">dft</scalar>
4 <scalar dataType="xsd:string" dictRef="cc:functional">pbe0</scalar>
5 </module>
6 </comment>
Template definition
1<templateList> <template pattern="\s*\u0024(dft|uhf)\s*" endPattern="~"> <record>\s*\u0024{A,cc:method}.*</record> <templateList> <template pattern="\s*(?i:functional).*" endPattern=".*" endPattern2="~"> <record>\s*(?i:functional){X,cc:functional}</record>
2 </template> <template pattern="\s*(?i:gridsize).*" endPattern=".*" endPattern2="~"> <record>\s*(?i:gridsize){X,t:dftgridsize}</record>
3 </template>
4 </templateList>
5 </template>
6 </templateList>
7<transform process="move" xpath=".//cml:scalar" to="." />
8<transform process="delete" xpath=".//cml:module" />