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dipole.moment ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceADF log
iddipole.moment
pattern\s*Dipole\s*Moment.*
endPattern\s*This\smolecular\sdipole\smoment.*
endOffset1
repeat*
xml:baseresults/dipole.moment.xml

Input ​

 Dipole Moment  ***  (Debye)  ***
 =============
  
 Vector   :         0.35296978     -1.16140503     -0.40685166
 Magnitude:         1.28022560 
 
 This molecular dipole moment is calculated with analytic integration

Output text ​

xml
<comment class="example.output" id="dipole.moment">
        <module cmlx:templateRef="dipole.moment">
            <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.35296978 -1.16140503 -0.40685166</array>
            <scalar dataType="xsd:double" dictRef="x:dipole">1.28022560</scalar>
        </module>
    </comment>

Template definition ​

xml
<record repeat="3" />
<record>\s*Vector\s*:&#123;3F,cc:dipole&#125;.*</record>
<record>\s*Magnitude:\s*&#123;F, x:dipole&#125;</record>
<transform process="pullup" xpath=".//cml:array" />
<transform process="pullup" xpath=".//cml:scalar" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />