l101.isotope
Type |
Status |
|---|---|
CML extraction template |
|
HTML5 representation |
|
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
1<comment class="example.output" id="l101.isotope">
2 <module cmlx:templateRef="l101.isotope">
3 <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>
4 <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>
5 <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>
6 <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>
7 <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>
8 <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>
9 <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>
10 </module>
11 </comment>
Template definition
1<record />
2<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>
3 </template>
4 </templateList>
5<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atom']/cml:array" />
6<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='iatwgt']/cml:array" />
7<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atmwgt']/cml:array" />
8<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='iatspn']/cml:array" />
9<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atzeff']/cml:array" />
10<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atqmom']/cml:array" />
11<transform process="joinArrays" xpath=".//cml:list[@cmlx:templateRef='atgfac']/cml:array" />
12<transform process="pullupSingleton" xpath=".//cml:list" />
13<transform process="delete" xpath=".//cml:module[not(cml:array)]" />
14<transform process="pullup" xpath=".//cml:array" />
15<transform process="delete" xpath=".//cml:module[not(cml:array)]" />
16<transform process="delete" xpath=".//cml:list[count(*)=0]" />
17<transform process="delete" xpath=".//cml:list[count(*)=0]" />