l716.irspectrum
Type |
Status |
|---|---|
CML extraction template |
|
HTML5 representation |
|
Attribute |
Value |
|---|---|
source |
Gaussian log |
id |
l716.irspectrum |
name |
Thermochemistry properties |
repeat |
* |
pattern |
.*$\s+IR Spectrum\s* |
endPattern |
\s*X[\sX]+$\s* |
endOffset |
1 |
xml:base |
l716/l716.irspectrum.xml |
Input
chlorobz/cl complex basis
IR Spectrum
33333 1 1 11 1 1 11 11 11
22211 6 5 44 3 3 21 00 0099 9 8 7 76 6 4 44 3 2 1
20099 1 6 88 5 1 08 99 2098 2 2 8 19 1 6 10 0 2 3 75
09962 0 4 91 4 4 03 54 6816 8 6 1 06 5 6 62 1 0 8 35
XXXXX X X XX X X XX XX XXXX X X X XX X X X X X XX
X X X X X X
X X X X
X X X X
X X X X
X X X
X X
X
X
Output text
1<comment class="example.output" id="l716.irspectrum">
2 <module cmlx:templateRef="l716.irspectrum">
3 <scalar dataType="xsd:string" dictRef="g:irspectrum" cmlx:templateRef="discard">chlorobz/cl complex basis</scalar>
4 </module>
5 </comment>
Template definition
1<record id="discard">{X,g:irspectrum}</record>
2<record repeat="*" />
3<transform process="pullupSingleton" xpath="./cml:list" />
4<transform process="delete" xpath=".//cml:list[count(*)=0]" />
5<transform process="delete" xpath=".//cml:list[count(*)=0]" />