From 5b97bd6fd0047bc46f1a1aa7a0784d8940f13b25 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Fri, 15 Apr 2016 05:54:04 +0200
Subject: [PATCH] fix vasp outcar parser test (which does not parse anything)
---
parser/parser-vasp/parser_vasp.py | 4 ++--
.../scala/eu/nomad_lab/parsers/VaspParserSpec.scala | 11 +++++------
2 files changed, 7 insertions(+), 8 deletions(-)
diff --git a/parser/parser-vasp/parser_vasp.py b/parser/parser-vasp/parser_vasp.py
index bd573da..1a2a202 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 c2ece0e..1b38feb 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
}
}
}
--
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