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nomad-lab
parser-gaussian
Commits
8605ceaf
Commit
8605ceaf
authored
9 years ago
by
ankit kariryaa
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Test and corrected regular expression for Gaussian parser
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29b32555
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src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala
+4
-3
4 additions, 3 deletions
src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala
src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala
+15
-0
15 additions, 0 deletions
src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala
with
19 additions
and
3 deletions
src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala
+
4
−
3
View file @
8605ceaf
...
...
@@ -8,12 +8,13 @@ object GaussianParser extends SimpleExternalParserGenerator(
(
"name"
->
jn
.
JString
(
"GaussianParser"
))
::
(
"version"
->
jn
.
JString
(
"1.0"
))
::
Nil
),
mainFileTypes
=
Seq
(
"text/.*"
),
mainFileRe
=
"""\s*Invoking Gaussian \.\.\.
\s*Version """
.
r
,
mainFileRe
=
"""\s*Gaussian, Inc\. All Rights Reserved\.\s*
\s*
\s*This is part of the Gaussian\(R\) [0-9]* program."""
.
r
,
cmd
=
Seq
(
DefaultPythonInterpreter
.
python2Exe
(),
"${envDir}/parsers/gaussian/parser/parser-gaussian/parser_gaussian.py"
,
"--uri"
,
"${mainFileUri}"
,
"${mainFilePath}"
),
resList
=
Seq
(
"parser-gaussian/
G
aussian
Parser
.py"
,
"parser-gaussian/
parser_g
aussian.py"
,
"parser-gaussian/setup_paths.py"
,
"nomad_meta_info/common.nomadmetainfo.json"
,
"nomad_meta_info/meta_types.nomadmetainfo.json"
,
...
...
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src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala
0 → 100644
+
15
−
0
View file @
8605ceaf
package
eu.nomad_lab.parsers
import
eu.nomad_lab.
{
parsers
,
DefaultPythonInterpreter
}
import
org.scalacheck.Properties
import
org.specs2.mutable.Specification
import
org.
{
json4s
=>
jn
}
object
GaussianParserSpec
extends
Specification
{
"GaussianParserTest"
>>
{
examplesBlock
{
ParserRun
.
parse
(
GaussianParser
,
"/home/kariryaa/NoMad/nomad-lab-base/parsers/gaussian/test/examples/Al.out"
,
""
)
must_==
ParseResult
.
ParseSuccess
}
}
}
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