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Commit 5b97bd6f authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
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fix vasp outcar parser test (which does not parse anything)

parent f11e4488
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...@@ -12,14 +12,14 @@ mainFileDescription = SM( ...@@ -12,14 +12,14 @@ mainFileDescription = SM(
startReStr = "", startReStr = "",
subMatchers = [ subMatchers = [
SM(name = 'newRun', SM(name = 'newRun',
startReStr = r"^\s*vasp.(?P<program_version>[0-9.]+)\s+(?P<vasp_src_date>[0-9]+[A-Za-z]+[0-9]+)\s+\(build (?P<vasp_build_date>[^)]+)\)\s+complex\s*", startReStr = r"^\s*vasp.(?:[0-9.]+)\s+(?:[0-9]+[A-Za-z]+[0-9]+)\s+\(build (:[^)]+)\)\s+complex\s*",
repeats = True, repeats = True,
required = True, required = True,
forwardMatch = True, forwardMatch = True,
sections = ['section_run','section_method'], sections = ['section_run','section_method'],
subMatchers = [ subMatchers = [
SM(name = 'header', SM(name = 'header',
startReStr = r"^\s*vasp.(?P<program_version>[0-9.]+)\s+(?P<vasp_src_date>[0-9]+[A-Za-z]+[0-9]+)\s+\(build (?P<vasp_build_date>[^)]+)\)\s+complex\s*" startReStr = r"^\s*vasp.(?P<program_version>[0-9.]+)\s+(?P<vasp_src_date>[0-9]+[A-Za-z]+[0-9]+)\s+\(build (?P<vasp_build_date>[^)]+)\)\s+complex\s*",
subMatchers = [ subMatchers = [
] ]
), ),
......
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 VaspParserSpec extends Specification { object VaspParserSpec extends Specification {
"VaspParserTest" >> { "VaspParserTest" >> {
"test with Al.out">> { "test with Al.out" >> {
"test with json-events" >> { "test with json-events" >> {
ParserRun.parse(VaspParser,"test/examples/oqmd/relaxation/0_convergence/OUTCAR","json-events") must_== ParseResult.ParseSuccess ParserRun.parse(VaspParser, "test/examples/oqmd/relaxation/OUTCAR", "json-events") must_== ParseResult.ParseSuccess
} }
"test with json" >> { "test with json" >> {
ParserRun.parse(VaspParser,"test/examples/oqmd/relaxation/0_convergence/OUTCAR","json") must_== ParseResult.ParseSuccess ParserRun.parse(VaspParser, "test/examples/oqmd/relaxation/OUTCAR", "json") must_== ParseResult.ParseSuccess
} }
} }
} }
......
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