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nomad-lab
parser-gaussian
Commits
3160b36d
Commit
3160b36d
authored
Mar 30, 2016
by
Mohamed, Fawzi Roberto (fawzi)
Browse files
scalariform
parent
d31460b4
Changes
2
Hide whitespace changes
Inline
Side-by-side
src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala
View file @
3160b36d
package
eu.nomad_lab.parsers
package
eu.nomad_lab.parsers
import
eu.
{
nomad_lab
=>
lab
}
import
eu.
{
nomad_lab
=>
lab
}
import
eu.nomad_lab.DefaultPythonInterpreter
import
eu.nomad_lab.DefaultPythonInterpreter
import
org.
{
json4s
=>
jn
}
import
org.
{
json4s
=>
jn
}
import
scala.collection.breakOut
import
scala.collection.breakOut
object
GaussianParser
extends
SimpleExternalParserGenerator
(
object
GaussianParser
extends
SimpleExternalParserGenerator
(
name
=
"GaussianParser"
,
name
=
"GaussianParser"
,
parserInfo
=
jn
.
JObject
(
parserInfo
=
jn
.
JObject
(
(
"name"
->
jn
.
JString
(
"GaussianParser"
))
::
(
"name"
->
jn
.
JString
(
"GaussianParser"
))
::
(
"parserId"
->
jn
.
JString
(
"GaussianParser"
+
lab
.
GaussianVersionInfo
.
version
))
::
(
"parserId"
->
jn
.
JString
(
"GaussianParser"
+
lab
.
GaussianVersionInfo
.
version
))
::
(
"versionInfo"
->
jn
.
JObject
(
(
"versionInfo"
->
jn
.
JObject
(
(
"nomadCoreVersion"
->
jn
.
JString
(
lab
.
NomadCoreVersionInfo
.
version
))
::
(
"nomadCoreVersion"
->
jn
.
JString
(
lab
.
NomadCoreVersionInfo
.
version
))
::
(
lab
.
GaussianVersionInfo
.
toMap
.
map
{
case
(
key
,
value
)
=>
(
lab
.
GaussianVersionInfo
.
toMap
.
map
{
(
key
->
jn
.
JString
(
value
.
toString
))
case
(
key
,
value
)
=>
}(
breakOut
)
:
List
[(
String
,
jn.JString
)])
(
key
->
jn
.
JString
(
value
.
toString
))
))
::
Nil
}(
breakOut
)
:
List
[(
String
,
jn.JString
)])
),
))
::
Nil
mainFileTypes
=
Seq
(
"text/.*"
),
),
mainFileRe
=
"""\s*Gaussian, Inc\. All Rights Reserved\.\s*
mainFileTypes
=
Seq
(
"text/.*"
),
mainFileRe
=
"""\s*Gaussian, Inc\. All Rights Reserved\.\s*
\s*
\s*
\s*This is part of the Gaussian\(R\) [0-9]* program."""
.
r
,
\s*This is part of the Gaussian\(R\) [0-9]* program."""
.
r
,
cmd
=
Seq
(
DefaultPythonInterpreter
.
python2Exe
(),
"${envDir}/parsers/gaussian/parser/parser-gaussian/parser_gaussian.py"
,
cmd
=
Seq
(
DefaultPythonInterpreter
.
python2Exe
(),
"${envDir}/parsers/gaussian/parser/parser-gaussian/parser_gaussian.py"
,
"--uri"
,
"${mainFileUri}"
,
"${mainFilePath}"
),
"--uri"
,
"${mainFileUri}"
,
"${mainFilePath}"
),
resList
=
Seq
(
resList
=
Seq
(
"parser-gaussian/parser_gaussian.py"
,
"parser-gaussian/parser_gaussian.py"
,
"parser-gaussian/setup_paths.py"
,
"parser-gaussian/setup_paths.py"
,
"nomad_meta_info/common.nomadmetainfo.json"
,
"nomad_meta_info/common.nomadmetainfo.json"
,
"nomad_meta_info/meta_types.nomadmetainfo.json"
,
"nomad_meta_info/meta_types.nomadmetainfo.json"
,
"nomad_meta_info/gaussian.nomadmetainfo.json"
"nomad_meta_info/gaussian.nomadmetainfo.json"
)
++
DefaultPythonInterpreter
.
commonFiles
(),
)
++
DefaultPythonInterpreter
.
commonFiles
(),
dirMap
=
Map
(
dirMap
=
Map
(
"parser-gaussian"
->
"parsers/gaussian/parser/parser-gaussian"
,
"parser-gaussian"
->
"parsers/gaussian/parser/parser-gaussian"
,
"nomad_meta_info"
->
"nomad-meta-info/meta_info/nomad_meta_info"
,
"nomad_meta_info"
->
"nomad-meta-info/meta_info/nomad_meta_info"
,
"python"
->
"python-common/common/python/nomadcore"
)
++
DefaultPythonInterpreter
.
commonDirMapping
()
"python"
->
"python-common/common/python/nomadcore"
)
++
DefaultPythonInterpreter
.
commonDirMapping
()
)
)
src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala
View file @
3160b36d
package
eu.nomad_lab.parsers
package
eu.nomad_lab.parsers
import
eu.nomad_lab.
{
parsers
,
DefaultPythonInterpreter
}
import
eu.nomad_lab.
{
parsers
,
DefaultPythonInterpreter
}
import
org.scalacheck.Properties
import
org.scalacheck.Properties
import
org.specs2.mutable.Specification
import
org.specs2.mutable.Specification
import
org.
{
json4s
=>
jn
}
import
org.
{
json4s
=>
jn
}
object
GaussianParserSpec
extends
Specification
{
object
GaussianParserSpec
extends
Specification
{
"GaussianParserTest"
>>
{
"GaussianParserTest"
>>
{
"test with Al.out"
>>
{
"test with Al.out"
>>
{
"test with json-events"
>>
{
"test with json-events"
>>
{
ParserRun
.
parse
(
GaussianParser
,
"parsers/gaussian/test/examples/Al.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
GaussianParser
,
"parsers/gaussian/test/examples/Al.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
}
"test with json"
>>
{
"test with json"
>>
{
ParserRun
.
parse
(
GaussianParser
,
"parsers/gaussian/test/examples/Al.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
GaussianParser
,
"parsers/gaussian/test/examples/Al.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
}
}
}
}
}
...
...
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