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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(
startReStr = "",
subMatchers = [
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,
required = True,
forwardMatch = True,
sections = ['section_run','section_method'],
subMatchers = [
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 = [
]
),
......
package eu.nomad_lab.parsers
import eu.nomad_lab.{parsers, DefaultPythonInterpreter}
import eu.nomad_lab.{ parsers, DefaultPythonInterpreter }
import org.scalacheck.Properties
import org.specs2.mutable.Specification
import org.{json4s => jn}
import org.{ json4s => jn }
object VaspParserSpec extends Specification {
"VaspParserTest" >> {
"test with Al.out">> {
"test with Al.out" >> {
"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" >> {
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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