l1.keywords ​
Implementation level ​
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
Template attributes ​
Attribute | Value |
---|---|
source | Gaussian log |
id | l1.keywords |
pattern | \s*\-+\s*$.* |
endPattern | \s*\-+\s* |
endOffset | 1 |
xml:base | l1/l1.keywords.xml |
Input ​
--------------------------
#N B3LYP/6-31G(d) OPT FREQ
--------------------------
Output text ​
xml
<comment class="example.output" id="l1.keywords">
<module cmlx:templateRef="l1.keywords">
<scalar dataType="xsd:string" dictRef="cc:keyword">#N</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">B3LYP/6-31G(d)</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">OPT</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">FREQ</scalar>
</module>
</comment>
Template definition ​
xml
<record />
<record id="prog" repeat="*">{X,cc:keywords}</record>
<transform process="delete" xpath=".//cml:scalar[contains(.,'------')]" />
<transform process="delete" xpath=".//cml:scalar[string-length(.)=0]" />
<transform process="pullup" xpath=".//cml:scalar" />
<transform process="split" xpath="./cml:scalar" dictRef="cc:keyword" />
<transform process="pullup" xpath=".//cml:scalar" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />