Fixed bug at step counter. Adding non-threaded tests.

parser/parser-gromacs/GromacsParser.py

@@ -595,11 +595,13 @@ class GromacsParser(SmartParser.ParserBase):
             self.MDnextstep = steps[-1] + 1
         if self.MDcurrentstep in logsteps:
             self.MDlogstep = self.MDcurrentstep
-            self.MDlogsteps.pop(0)
+            if len(self.MDlogsteps)>1:
+                self.MDlogsteps.pop(0)
         if len(self.MDlogsteps)>0:
             self.MDnextlogstep=self.MDlogsteps[0]
         else:
-            self.MDnextlogstep=logsteps[-1] + 1
+            if len(logsteps)>0:
+                self.MDnextlogstep=logsteps[-1]
         self.stepcontrolDict.update({"nextlogsteps" : logsteps})
         self.stepcontrolDict.update({"MDcurrentstep" : self.MDcurrentstep})
         self.stepcontrolDict.update({"MDcurrenttime" : self.MDcurrentstep*timestep})

src/test/scala/eu/nomad_lab/parsers/GromacsParserSpec.scala

@@ -3,34 +3,52 @@ package eu.nomad_lab.parsers
 import org.specs2.mutable.Specification
 
 object GromacsParserTests extends Specification {
-  "GromacsParserTest" >> {
-//    "[aminoacids] test with json-events" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/aminoacids/md.log", "json-events") must_== ParseResult.ParseSuccess
-//    }
-//    "[aminoacids] test with json" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/aminoacids/md.log", "json") must_== ParseResult.ParseSuccess
-//    }
-//    "[argon] test with json-events" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/argon/md.log", "json-events") must_== ParseResult.ParseSuccess
-//    }
-//    "[argon] test with json" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/argon/md.log", "json") must_== ParseResult.ParseSuccess
-//    }
-//    "[water] test with json-events" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/water/md.log", "json-events") must_== ParseResult.ParseSuccess
-//    }
-//    "[water] test with json" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/water/md.log", "json") must_== ParseResult.ParseSuccess
-//    }
-//    "[tip4p] test with json-events" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/tip4p/md.log", "json-events") must_== ParseResult.ParseSuccess
-//    }
-//    "[tip4p] test with json" >> {
-//      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/tip4p/md.log", "json") must_== ParseResult.ParseSuccess
-//    }
+  "GromacsParserTest_1" >> {
+    "[aminoacids] test with json-events" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/aminoacids/md.log", "json-events") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_2" >> {
+    "[aminoacids] test with json" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/aminoacids/md.log", "json") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_3" >> {
+    "[argon] test with json-events" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/argon/md.log", "json-events") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_4" >> {
+    "[argon] test with json" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/argon/md.log", "json") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_5" >> {
+    "[water] test with json-events" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/water/md.log", "json-events") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_6" >> {
+    "[water] test with json" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/water/md.log", "json") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_7" >> {
+    "[tip4p] test with json-events" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/tip4p/md.log", "json-events") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_8" >> {
+    "[tip4p] test with json" >> {
+      ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/tip4p/md.log", "json") must_== ParseResult.ParseSuccess
+    }
+  }
+  "GromacsParserTest_9" >> {
     "[Fe] test with json-events" >> {
       ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/fe_test/md.log", "json-events") must_== ParseResult.ParseSuccess
     }
+  }
+  "GromacsParserTest_10" >> {
     "[Fe] test with json" >> {
       ParserRun.parse(GromacsParser, "parsers/gromacs/test/examples/fe_test/md.log", "json") must_== ParseResult.ParseSuccess
     }