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nomad-lab
parser-charmm
Commits
7b6b8243
Commit
7b6b8243
authored
Mar 07, 2018
by
Berk Onat
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Correction of the test names in charmm parser
parent
811d5cd7
Changes
2
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2 changed files
with
19 additions
and
19 deletions
+19
-19
src/main/scala/eu/nomad_lab/parsers/CHARMMParser.scala
src/main/scala/eu/nomad_lab/parsers/CHARMMParser.scala
+5
-5
src/test/scala/eu/nomad_lab/parsers/CHARMMParserSpec.scala
src/test/scala/eu/nomad_lab/parsers/CHARMMParserSpec.scala
+14
-14
No files found.
src/main/scala/eu/nomad_lab/parsers/CHARMMParser.scala
View file @
7b6b8243
...
...
@@ -6,16 +6,16 @@ import org.{ json4s => jn }
import
eu.
{
nomad_lab
=>
lab
}
import
scala.collection.breakOut
object
C
HARMM
Parser
extends
SimpleExternalParserGenerator
(
name
=
"C
HARMM
Parser"
,
object
C
harmm
Parser
extends
SimpleExternalParserGenerator
(
name
=
"C
harmm
Parser"
,
parserInfo
=
jn
.
JObject
(
(
"name"
->
jn
.
JString
(
"C
HARMM
Parser"
))
::
(
"parserId"
->
jn
.
JString
(
"C
HARMMParser"
+
lab
.
CHARMM
VersionInfo
.
version
))
::
(
"name"
->
jn
.
JString
(
"C
harmm
Parser"
))
::
(
"parserId"
->
jn
.
JString
(
"C
harmmParser"
+
lab
.
Charmm
VersionInfo
.
version
))
::
(
"versionInfo"
->
jn
.
JObject
(
(
"nomadCoreVersion"
->
jn
.
JObject
(
lab
.
NomadCoreVersionInfo
.
toMap
.
map
{
case
(
k
,
v
)
=>
k
->
jn
.
JString
(
v
.
toString
)
}(
breakOut
)
:
List
[(
String
,
jn.JString
)]))
::
(
lab
.
C
HARMM
VersionInfo
.
toMap
.
map
{
(
lab
.
C
harmm
VersionInfo
.
toMap
.
map
{
case
(
key
,
value
)
=>
(
key
->
jn
.
JString
(
value
.
toString
))
}(
breakOut
)
:
List
[(
String
,
jn.JString
)])
...
...
src/test/scala/eu/nomad_lab/parsers/CHARMMParserSpec.scala
View file @
7b6b8243
...
...
@@ -2,43 +2,43 @@ package eu.nomad_lab.parsers
import
org.specs2.mutable.Specification
object
C
HARMM
ParserTests
extends
Specification
{
"C
HARMM
ParserTest"
>>
{
object
C
harmm
ParserTests
extends
Specification
{
"C
harmm
ParserTest"
>>
{
"[MINI brbtest] test with json-events"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/brbtest/brbtest.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/brbtest/brbtest.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
"[MINI brbtest] test with json"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/brbtest/brbtest.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/brbtest/brbtest.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
"[DYNA dyntest1] test with json-events"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/dyntest1/dyntest1.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/dyntest1/dyntest1.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
"[DYNA dyntest1] test with json"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/dyntest1/dyntest1.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/dyntest1/dyntest1.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
"[LANGEVIN dyntest2] test with json-events"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/dyntest2/dyntest2.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/dyntest2/dyntest2.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
"[LANGEVIN dyntest2] test with json"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/dyntest2/dyntest2.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/dyntest2/dyntest2.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
"[langtest1] test with json-events"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/langtest1/langtest1.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/langtest1/langtest1.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
"[langtest1] test with json"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/langtest1/langtest1.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/langtest1/langtest1.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
"[nose1] test with json-events"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/nose1/nose1.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/nose1/nose1.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
"[nose1] test with json"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/nose1/nose1.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/nose1/nose1.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
"[tip4ptest] test with json-events"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/tip4ptest/tip4ptest.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/tip4ptest/tip4ptest.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
"[tip4ptest] test with json"
>>
{
ParserRun
.
parse
(
C
HARMM
Parser
,
"parsers/charmm/test/examples/tip4ptest/tip4ptest.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
C
harmm
Parser
,
"parsers/charmm/test/examples/tip4ptest/tip4ptest.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
}
}
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