Parser optimizations.

src/main/scala/eu/nomad_lab/parsers/GpawParser.scala

-/*
- * Copyright 2015-2018 Mikkel Strange, Fawzi Mohamed, Ankit Kariryaa, Ask Hjorth Larsen, Jens Jørgen Mortensen
- * 
- *   Licensed under the Apache License, Version 2.0 (the "License");
- *   you may not use this file except in compliance with the License.
- *   You may obtain a copy of the License at
- * 
- *     http://www.apache.org/licenses/LICENSE-2.0
- * 
- *   Unless required by applicable law or agreed to in writing, software
- *   distributed under the License is distributed on an "AS IS" BASIS,
- *   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- *   See the License for the specific language governing permissions and
- *   limitations under the License.
- */
-
-package eu.nomad_lab.parsers
-import eu.{ nomad_lab => lab }
-import org.{ json4s => jn }
-import scala.collection.breakOut
-
-object GpawParser extends SimpleExternalParserGenerator(
-  name = "GpawParser",
-  parserInfo = jn.JObject(
-    ("name" -> jn.JString("GpawParser")) ::
-      ("parserId" -> jn.JString("GpawParser" + lab.GpawVersionInfo.version)) ::
-      ("versionInfo" -> jn.JObject(
-        ("nomadCoreVersion" -> jn.JObject(lab.NomadCoreVersionInfo.toMap.map {
-          case (k, v) => k -> jn.JString(v.toString)
-        }(breakOut): List[(String, jn.JString)])) ::
-          (lab.GpawVersionInfo.toMap.map {
-            case (key, value) =>
-              (key -> jn.JString(value.toString))
-          }(breakOut): List[(String, jn.JString)])
-      )) :: Nil
-  ),
-  mainFileTypes = Seq("application/x-gtar"),
-  mainFileRe = "".r,
-  cmd = Seq(lab.DefaultPythonInterpreter.pythonExe(), "${envDir}/parsers/gpaw/parser/parser-gpaw/parser.py",
-    "${mainFilePath}"),
-  resList = Seq(
-    "parser-gpaw/parser.py",
-    "parser-gpaw/tar.py",
-    "parser-gpaw/versions.py",
-    "parser-gpaw/libxc_names.py",
-    "parser-gpaw/setup_paths.py",
-    "nomad_meta_info/public.nomadmetainfo.json",
-    "nomad_meta_info/common.nomadmetainfo.json",
-    "nomad_meta_info/meta_types.nomadmetainfo.json",
-    "nomad_meta_info/gpaw.nomadmetainfo.json"
-  ) ++ lab.DefaultPythonInterpreter.commonFiles(),
-  dirMap = Map(
-    "parser-gpaw" -> "parsers/gpaw/parser/parser-gpaw",
-    "nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info"
-  ) ++ lab.DefaultPythonInterpreter.commonDirMapping()
-) {
-  override def isMainFile(filePath: String, bytePrefix: Array[Byte], stringPrefix: Option[String]): Option[ParserMatch] = {
-    if (filePath.endsWith(".gpw"))
-      Some(ParserMatch(mainFileMatchPriority, mainFileMatchWeak))
-    else
-      None
-  }
-}

src/main/scala/eu/nomad_lab/parsers/GpawParser2.scala

-/*
- * Copyright 2015-2018 Mikkel Strange, Fawzi Mohamed, Ankit Kariryaa, Ask Hjorth Larsen, Jens Jørgen Mortensen
- * 
- *   Licensed under the Apache License, Version 2.0 (the "License");
- *   you may not use this file except in compliance with the License.
- *   You may obtain a copy of the License at
- * 
- *     http://www.apache.org/licenses/LICENSE-2.0
- * 
- *   Unless required by applicable law or agreed to in writing, software
- *   distributed under the License is distributed on an "AS IS" BASIS,
- *   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- *   See the License for the specific language governing permissions and
- *   limitations under the License.
- */
-
-package eu.nomad_lab.parsers
-import eu.{ nomad_lab => lab }
-import org.{ json4s => jn }
-import scala.collection.breakOut
-
-object GpawParser2 extends SimpleExternalParserGenerator(
-  name = "GpawParser2",
-  parserInfo = jn.JObject(
-    ("name" -> jn.JString("GpawParser2")) ::
-      ("parserId" -> jn.JString("GpawParser2" + lab.GpawVersionInfo.version)) ::
-      ("versionInfo" -> jn.JObject(
-        ("nomadCoreVersion" -> jn.JObject(lab.NomadCoreVersionInfo.toMap.map {
-          case (k, v) => k -> jn.JString(v.toString)
-        }(breakOut): List[(String, jn.JString)])) ::
-          (lab.GpawVersionInfo.toMap.map {
-            case (key, value) =>
-              (key -> jn.JString(value.toString))
-          }(breakOut): List[(String, jn.JString)])
-      )) :: Nil
-  ),
-  // output file is binary and first 16 bytes is a string containing: 'GPAW'
-  // In python the check is like this
-  // is_gpw_file = 'GPAW' in str(open('file.gpw', 'rb').read(16))
-  // How do we do this in scala?
-  mainFileTypes = Seq("application/x-bin"),
-  mainFileRe = "- of UlmGPAW|AFFormatGPAW".r,
-  cmd = Seq(lab.DefaultPythonInterpreter.pythonExe(), "${envDir}/parsers/gpaw/parser/parser-gpaw/parser2.py",
-    "${mainFilePath}"),
-  resList = Seq(
-    "parser-gpaw/parser2.py",
-    "parser-gpaw/default_parameters.py",
-    "parser-gpaw/libxc_names.py",
-    "parser-gpaw/setup_paths.py",
-    "nomad_meta_info/public.nomadmetainfo.json",
-    "nomad_meta_info/common.nomadmetainfo.json",
-    "nomad_meta_info/meta_types.nomadmetainfo.json",
-    "nomad_meta_info/gpaw.nomadmetainfo.json"
-  ) ++ lab.DefaultPythonInterpreter.commonFiles(),
-  dirMap = Map(
-    "parser-gpaw" -> "parsers/gpaw/parser/parser-gpaw",
-    "nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info"
-  ) ++ lab.DefaultPythonInterpreter.commonDirMapping()
-) {
-  override def isMainFile(filePath: String, bytePrefix: Array[Byte], stringPrefix: Option[String]): Option[ParserMatch] = {
-    if (filePath.endsWith(".gpw"))
-      Some(ParserMatch(mainFileMatchPriority, mainFileMatchWeak))
-    else
-      None
-  }
-}

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

-/*
- * Copyright 2015-2018 Mikkel Strange, Fawzi Mohamed, Ankit Kariryaa, Ask Hjorth Larsen, Jens Jørgen Mortensen
- * 
- *   Licensed under the Apache License, Version 2.0 (the "License");
- *   you may not use this file except in compliance with the License.
- *   You may obtain a copy of the License at
- * 
- *     http://www.apache.org/licenses/LICENSE-2.0
- * 
- *   Unless required by applicable law or agreed to in writing, software
- *   distributed under the License is distributed on an "AS IS" BASIS,
- *   WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- *   See the License for the specific language governing permissions and
- *   limitations under the License.
- */
-
-package eu.nomad_lab.parsers
-
-import org.specs2.mutable.Specification
-
-object GpawParserSpec extends Specification {
-  "GpawParserTest" >> {
-    "H2 test with json-events" >> {
-      ParserRun.parse(GpawParser, "parsers/gpaw/test/examples/H2.gpw", "json-events") must_== ParseResult.ParseSuccess
-    }
-    "H2 test with json" >> {
-      ParserRun.parse(GpawParser, "parsers/gpaw/test/examples/H2.gpw", "json") must_== ParseResult.ParseSuccess
-    }
-    "Fe2 test with json-events" >> {
-      ParserRun.parse(GpawParser, "parsers/gpaw/test/examples/Fe2.gpw", "json-events") must_== ParseResult.ParseSuccess
-    }
-    "Fe2 test with json" >> {
-      ParserRun.parse(GpawParser, "parsers/gpaw/test/examples/Fe2.gpw", "json") must_== ParseResult.ParseSuccess
-    }
-    "Au test with json-events" >> {
-      ParserRun.parse(GpawParser2, "parsers/gpaw/test/examples/Au.fcc.ulm.gpw", "json-events") must_== ParseResult.ParseSuccess
-    }
-    "Au test with json" >> {
-      ParserRun.parse(GpawParser2, "parsers/gpaw/test/examples/Au.fcc.ulm.gpw", "json") must_== ParseResult.ParseSuccess
-    }
-  }
-}