fragment.files
Type |
Status |
|---|---|
CML extraction template |
|
HTML5 representation |
|
Attribute |
Value |
|---|---|
source |
ADF log |
id |
fragment.files |
name |
Fragment files section |
pattern |
\s+Fragment\sFile\(s\).* |
endPattern |
\s* |
endOffset |
1 |
repeat |
* |
xml:base |
init/modelparameters/fragment.files.xml |
Input
Fragment File(s)
----------------
Lu:
file : t21.Lu.5p
jobid: ADF 2012.01 RunTime: Nov11-2013 11:30:15 Nodes: 1 Procs: 1
title: Lutetium (TZP, 5p frozen)
N:
file : t21.N.1s
jobid: ADF 2012.01 RunTime: Nov11-2013 11:30:16 Nodes: 1 Procs: 1
title: Nitrogen (TZP, 1s frozen)
H:
file : t21.H
jobid: ADF 2012.01 RunTime: Nov11-2013 11:30:17 Nodes: 1 Procs: 1
title: Hydrogen (TZP)
C:
file : t21.C.1s
jobid: ADF 2012.01 RunTime: Nov11-2013 11:30:16 Nodes: 1 Procs: 1
title: Carbon (TZP, 1s frozen)
Input
Fragment File(s)
----------------
W:
file : t21.W.4d
jobid: ADF 2007.01 RunTime: Oct16-2008 12:08:13
title: Tungsten (TZP, 4d frozen)
V:
file : t21.V.2p
jobid: ADF 2007.01 RunTime: Oct16-2008 12:08:14
title: Vanadium (TZP, 2p frozen)
O:
file : t21.O.1s
jobid: ADF 2007.01 RunTime: Oct16-2008 12:08:12
title: Oxygen (TZP, 1s frozen)
Output text
1<comment class="example.output" id="fragment.files">
2 <module cmlx:lineCount="18" cmlx:templateRef="fragment.files">
3 <module cmlx:lineCount="18" cmlx:templateRef="fragment.files">
4 <list cmlx:templateRef="elementType">
5 <atom elementType="Lu" id="a1">
6 <scalar dataType="xsd:string" dictRef="a:file">t21.Lu.5p</scalar>
7 <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2012.01</scalar>
8 <scalar dataType="xsd:string" dictRef="cc:runtime">Nov11-2013 11:30:15</scalar>
9 <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
10 <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
11 <scalar dataType="xsd:string" dictRef="cc:elementName">Lutetium</scalar>
12 <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
13 <scalar dataType="xsd:string" dictRef="cc:contraction">5p</scalar>
14 </atom>
15 </list>
16 </module>
17 <module cmlx:lineCount="4" cmlx:templateRef="atom">
18 <list cmlx:templateRef="elementType">
19 <atom elementType="N" id="a1">
20 <scalar dataType="xsd:string" dictRef="a:file">t21.N.1s</scalar>
21 <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2012.01</scalar>
22 <scalar dataType="xsd:string" dictRef="cc:runtime">Nov11-2013 11:30:16</scalar>
23 <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
24 <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
25 <scalar dataType="xsd:string" dictRef="cc:elementName">Nitrogen</scalar>
26 <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
27 <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
28 </atom>
29 </list>
30 </module>
31 <module cmlx:lineCount="4" cmlx:templateRef="atom">
32 <list cmlx:templateRef="elementType">
33 <atom elementType="H" id="a1">
34 <scalar dataType="xsd:string" dictRef="a:file">t21.H</scalar>
35 <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2012.01</scalar>
36 <scalar dataType="xsd:string" dictRef="cc:runtime">Nov11-2013 11:30:17</scalar>
37 <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
38 <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
39 <scalar dataType="xsd:string" dictRef="cc:elementName">Hydrogen</scalar>
40 <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
41 </atom>
42 </list>
43 </module>
44 <module cmlx:lineCount="4" cmlx:templateRef="atom">
45 <list cmlx:templateRef="elementType">
46 <atom elementType="C" id="a1">
47 <scalar dataType="xsd:string" dictRef="a:file">t21.C.1s</scalar>
48 <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2012.01</scalar>
49 <scalar dataType="xsd:string" dictRef="cc:runtime">Nov11-2013 11:30:16</scalar>
50 <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
51 <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
52 <scalar dataType="xsd:string" dictRef="cc:elementName">Carbon</scalar>
53 <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
54 <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
55 </atom>
56 </list>
57 </module>
58 </module>
59 </comment>
Output text
1<comment class="example.output" id="fragment.files2">
2 <module cmlx:lineCount="14" cmlx:templateRef="fragment.files">
3 <module cmlx:lineCount="4" cmlx:templateRef="atom">
4 <list cmlx:templateRef="elementType">
5 <atom elementType="W" id="a1">
6 <scalar dataType="xsd:string" dictRef="a:file">t21.W.4d</scalar>
7 <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2007.01</scalar>
8 <scalar dataType="xsd:string" dictRef="cc:runtime">Oct16-2008 12:08:13</scalar>
9 <scalar dataType="xsd:string" dictRef="cc:elementName">Tungsten</scalar>
10 <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
11 <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
12 </atom>
13 </list>
14 </module>
15 <module cmlx:lineCount="4" cmlx:templateRef="atom">
16 <list cmlx:templateRef="elementType">
17 <atom elementType="V" id="a1">
18 <scalar dataType="xsd:string" dictRef="a:file">t21.V.2p</scalar>
19 <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2007.01</scalar>
20 <scalar dataType="xsd:string" dictRef="cc:runtime">Oct16-2008 12:08:14</scalar>
21 <scalar dataType="xsd:string" dictRef="cc:elementName">Vanadium</scalar>
22 <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
23 <scalar dataType="xsd:string" dictRef="cc:contraction">2p</scalar>
24 </atom>
25 </list>
26 </module>
27 <module cmlx:lineCount="4" cmlx:templateRef="atom">
28 <list cmlx:templateRef="elementType">
29 <atom elementType="O" id="a1">
30 <scalar dataType="xsd:string" dictRef="a:file">t21.O.1s</scalar>
31 <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2007.01</scalar>
32 <scalar dataType="xsd:string" dictRef="cc:runtime">Oct16-2008 12:08:12</scalar>
33 <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
34 <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
35 <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
36 </atom>
37 </list>
38 </module>
39 </module>
40 </comment>
Template definition
1<record repeat="2" />
2<templateList> <template id="atom" pattern="\s*\S+:\s*" endPattern="\s*\S+:\s*" endPattern2="\s*" endOffset="0" repeat="*"> <record id="elementType">\s*{A,cc:elementType}\:\s*</record> <record id="file">\s*file\s:{X,a:file}\s*</record> <templateList> <template pattern="\s*jobid:.*RunTime.*Nodes:.*Procs:.*" endPattern=".*"> <record id="jobid">\s*jobid:{X,cc:jobname}\s*RunTime:{X,cc:runtime}Nodes:{I,cc:nodes}Procs:{I,cc:processors}\s*</record>
3 </template> <template pattern="\s*jobid:.*RunTime((?!Nodes|Procs).)*" endPattern=".*"> <record id="jobid">\s*jobid:{X,cc:jobname}\s*RunTime:{X,cc:runtime}\s*</record>
4 </template> <template pattern="\s*title:.*\([^,]+\)\s*" endPattern=".*" endPattern2="~"> <record id="title">\s*title:{A,cc:elementName}\({X,cc:basis}\)\s*</record>
5 </template> <template pattern="\s*title:.*\(.*\)\s*" endPattern=".*" endPattern2="~"> <record id="title">\s*title:{A,cc:elementName}\({A,cc:basis},{X,cc:contraction}\s+frozen\)\s*</record>
6 </template>
7 </templateList> <transform process="createAtom" xpath=".//cml:scalar[@dictRef='cc:elementType']" /> <transform process="move" xpath=".//cml:scalar" to=".//cml:atom" />
8 </template>
9 </templateList>
10<transform process="delete" xpath=".//cml:list[count(*)=0]" />
11<transform process="delete" xpath=".//cml:list[count(*)=0]" />
12<transform process="delete" xpath=".//cml:module[count(*)=0]" />