l101.isotope

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Gaussian log
id l101.isotope
pattern \s*$s*Atom.*$s* IAtWgt.*$s*AtmWgt.*$s*IAtSpn.*
repeat *
endPattern \s*AtGFac=.*
endOffset 1
xml:base l101/l101.isotope.xml

Input.

                    Isotopes and Nuclear Properties:

 Atom         1           2           3           4           5           6           7           8           9          10
IAtWgt=          12          12          12          12          12          12          12           1           1           1
AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
IAtSpn=           0           0           0           0           0           0           0           1           1           1
AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
AtQMom=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
AtGFac=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460

 Atom        11          12          13          14          15
IAtWgt=           1           1           1           1           1
AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
IAtSpn=           1           1           1           1           1
AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
AtQMom=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
AtGFac=   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460

Output text.

<comment class="example.output" id="l101.isotope">
    <module cmlx:templateRef="l101.isotope">
      <array dataType="xsd:integer" size="15" dictRef="x:x" cmlx:templateRef="atom">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15</array>
      <array dataType="xsd:integer" size="15" dictRef="x:x" cmlx:templateRef="iatwgt">12 12 12 12 12 12 12 1 1 1 1 1 1 1 1</array>
      <array dataType="xsd:double" size="15" dictRef="x:x" cmlx:templateRef="atmwgt">12.0 12.0 12.0 12.0 12.0 12.0 12.0 1.007825 1.007825 1.007825 1.007825 1.007825 1.007825 1.007825 1.007825</array>
      <array dataType="xsd:integer" size="15" dictRef="x:x" cmlx:templateRef="iatspn">0 0 0 0 0 0 0 1 1 1 1 1 1 1 1</array>
      <array dataType="xsd:double" size="15" dictRef="x:x" cmlx:templateRef="atzeff">0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0</array>
      <array dataType="xsd:double" size="15" dictRef="x:x" cmlx:templateRef="atqmom">0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0</array>
      <array dataType="xsd:double" size="15" dictRef="x:x" cmlx:templateRef="atgfac">0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.792846 2.792846 2.792846 2.792846 2.792846 2.792846 2.792846 2.792846</array>
    </module>
  </comment>

Template definition.

<record />
<templateList>  <template id="l101.isotope" pattern="\s*$\s*Atom.*$\s*IAtWgt.*" repeat="*" endPattern="\s*AtGFac=.*" endOffset="1">    <record />    <record id="atom">\s*Atom {1_10I,x:x}</record>    <record id="iatwgt">\s*IAtWgt={1_10I,x:x}</record>    <record id="atmwgt">\s*AtmWgt={1_10F,x:x}</record>    <record id="iatspn">\s*IAtSpn={1_10I,x:x}</record>    <record id="atzeff">\s*AtZEff={1_10F,x:x}</record>    <record id="atqmom">\s*AtQMom={1_10F,x:x}</record>    <record id="atgfac">\s*AtGFac={1_10F,x:x}</record>
    </template>
  </templateList>
<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atom']/cml:array" />
<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='iatwgt']/cml:array" />
<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atmwgt']/cml:array" />
<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='iatspn']/cml:array" />
<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atzeff']/cml:array" />
<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atqmom']/cml:array" />
<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atgfac']/cml:array" />
<transform process="pullupSingleton" xpath=".//cml:list" />
<transform process="delete" xpath=".//cml:module[not(cml:array)]" />
<transform process="pullup" xpath=".//cml:array" />
<transform process="delete" xpath=".//cml:module[not(cml:array)]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />