mulliken.header

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	MOLCAS log
id	mulliken.header
name	Mulliken (spin) population Analysis header
pattern	\s*Mulliken\s(spin\s)?population\sAnalysis.*
endPattern	.*
repeat	*
xml:base	modules/mulliken/mulliken.header.xml

Input

      Mulliken spin population Analysis for root number: 1

Input

      Mulliken population Analysis for root number: 1

Output text

<comment class="example.output" id="mulliken.header">
        <module cmlx:templateRef="mulliken.header">
            <scalar dataType="xsd:integer" dictRef="m:rootnumber">1</scalar>
        </module>
    </comment>

Output text

<comment class="example.output" id="mulliken.header2">
        <module cmlx:templateRef="mulliken.header">
            <scalar dataType="xsd:integer" dictRef="m:rootnumber">1</scalar>
        </module>
    </comment>

Template definition

<templateList>  <template id="mullikenroot" pattern="\s*Mulliken\spopulation\sAnalysis\sfor\sroot\snumber.*" endPattern="~">    <record>\s*Mulliken\spopulation\sAnalysis\sfor\sroot\snumber:&#123;I,m:rootnumber&#125;</record>    <transform process="pullup" xpath=".//cml:scalar" repeat="2" />                             
        </template>  <template id="mullikenroot" pattern="\s*Mulliken\sspin\spopulation\sAnalysis\sfor\sroot\snumber.*" endPattern="~">    <record>\s*Mulliken\s&#123;A,m:mullikentype&#125;\spopulation\sAnalysis\sfor\sroot\snumber:&#123;I,m:rootnumber&#125;</record>    <transform process="pullup" xpath=".//cml:scalar" repeat="2" />                  
        </template>
    </templateList>
<transform process="delete" xpath=".//cml:list[count(*) = 0]" />
<transform process="delete" xpath=".//cml:module[count(*) = 0]" />