diff --git a/parser/parser-vasp/parser_vasp.py b/parser/parser-vasp/parser_vasp.py index bd573daae7daeba76478b04aa4f48b8f7cf3558a..1a2a202e4b40623c3a568f2a191784700a9cacbd 100644 --- a/parser/parser-vasp/parser_vasp.py +++ b/parser/parser-vasp/parser_vasp.py @@ -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 = [ ] ), diff --git a/src/test/scala/eu/nomad_lab/parsers/VaspParserSpec.scala b/src/test/scala/eu/nomad_lab/parsers/VaspParserSpec.scala index c2ece0e32abc959ebdee2a86c62e19811dc65f48..1b38febf811527e2ecc2b93f45928415e6a5ce54 100644 --- a/src/test/scala/eu/nomad_lab/parsers/VaspParserSpec.scala +++ b/src/test/scala/eu/nomad_lab/parsers/VaspParserSpec.scala @@ -1,19 +1,18 @@ 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 } } }