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header ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceGRRM log
idheader
pattern\s*Global Reaction Route Mapping.*
endPattern\*\*\*\*.*
endOffset4
xml:baseheader.xml

Input ​

 Global Reaction Route Mapping (GRRM) Program,                           
     Produced by Satoshi Maeda, Yu Harabuchi, Yosuke Sumiya,             
                 Makito Takagi, Kimichi Suzuki, Kanami Sugiyama,         
                 Yuriko Ono, Miho Hatanaka, Yuto Osada,                  
                 Tetsuya Taketsugu, Keiji Morokuma, Koichi Ohno,         
                                  (Version 23, Release: January 23, 2023)
*************************************************************************
 SADDLE: Saddle-point optimization                                (by SM)
      using the interface with the GAUSSIAN program               (by SM)
*************************************************************************

Output text ​

xml
<comment class="example.output" id="header">
    <module cmlx:templateRef="header">
       <scalar cmlx:templateRef="program.name" dataType="xsd:string" dictRef="cc:program">GRRM</scalar>
       <module cmlx:templateRef="authors">
          <scalar dataType="xsd:string" dictRef="g:unparsed">Satoshi Maeda, Yu Harabuchi, Yosuke Sumiya,</scalar>
          <scalar dataType="xsd:string" dictRef="g:unparsed">Makito Takagi, Kimichi Suzuki, Kanami Sugiyama,</scalar>
          <scalar dataType="xsd:string" dictRef="g:unparsed">Yuriko Ono, Miho Hatanaka, Yuto Osada,</scalar>
          <scalar dataType="xsd:string" dictRef="g:unparsed">Tetsuya Taketsugu, Keiji Morokuma, Koichi Ohno,</scalar>
       </module>
       <list cmlx:templateRef="program.version">
          <scalar dataType="xsd:integer" dictRef="cc:programVersion">23</scalar>
          <scalar dataType="xsd:string" dictRef="cc:programDate">January 23, 2023</scalar>
       </list>
       <module cmlx:templateRef="run.details">
          <scalar dataType="xsd:string" dictRef="cc:runtype">SADDLE</scalar>
          <scalar dataType="xsd:string" dictRef="g:run.specification">Saddle-point optimization</scalar>
          <list cmlx:templateRef="run.type" />
          <scalar dataType="xsd:string" dictRef="g:programDriver">GAUSSIAN</scalar>
       </module>        
    </module>
</comment>

Template definition ​

xml
<record id="program.name">\s*Global Reaction Route Mapping \(&#123;X,cc:program&#125;\).*</record>
<transform process="pullupSingleton" xpath="./cml:list" />
<template id="authors" pattern="\s*Produced by.*" endPattern="\s*\(Version.*">  <record id="program.authors" delimiter=",">\s*Produced by &#123;X,g:unparsed&#125;</record>  <record id="program.authors" repeat="*">\s*&#123;X,g:unparsed&#125;</record>  <transform process="pullup" xpath=".//cml:scalar" />
    </template>
<record id="program.version">\s*\(Version\s*&#123;I,cc:programVersion&#125;,\s*Release:\s*&#123;X,cc:programDate&#125;\)</record>
<transform process="pullup" xpath="./cml:list/cml:list/cml:scalar" />
<template id="run.details" pattern="\*\*\*\*.*" endPattern="\*\*\*\*.*">  <record id="null" />  <record id="run.type">\s*&#123;X,cc:runtype&#125;:\s*&#123;X,g:run.specification&#125;\s*\(.*</record>  <record id="driver.type">\s*using the interface with the &#123;X,g:programDriver&#125; program.*</record>  <transform process="pullup" xpath="./cml:list/cml:list/cml:scalar" />  <transform process="pullup" xpath="./cml:list/cml:scalar" />
    </template>
<transform process="pullupSingleton" xpath="./cml:module" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:module[count(*)=0]" />