From c140bcb84243d524734bbb94e3a3d26583393f94 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Adriel=20Dom=C3=ADnguez?= <adriel@MacBook-Air.local>
Date: Tue, 21 Jun 2016 23:00:56 +0200
Subject: [PATCH] creating necessary directories and files for dftb+ parser
---
parser/.DS_Store | Bin 0 -> 6148 bytes
parser/parser-dftb+/parser_dftb+.py | 34 ++++++++++++++++++++++++++++
parser/parser-dftb+/setup_paths.py | 6 +++++
test/.DS_Store | Bin 0 -> 6148 bytes
test/examples/README.md | 1 +
5 files changed, 41 insertions(+)
create mode 100644 parser/.DS_Store
create mode 100644 parser/parser-dftb+/parser_dftb+.py
create mode 100644 parser/parser-dftb+/setup_paths.py
create mode 100644 test/.DS_Store
create mode 100644 test/examples/README.md
diff --git a/parser/.DS_Store b/parser/.DS_Store
new file mode 100644
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GIT binary patch
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diff --git a/parser/parser-dftb+/parser_dftb+.py b/parser/parser-dftb+/parser_dftb+.py
new file mode 100644
index 0000000..0795d0d
--- /dev/null
+++ b/parser/parser-dftb+/parser_dftb+.py
@@ -0,0 +1,34 @@
+import setup_paths
+from nomadcore.simple_parser import SimpleMatcher, mainFunction
+from nomadcore.local_meta_info import loadJsonFile, InfoKindEl
+import os, sys, json
+
+# description of the input
+mainFileDescription = SimpleMatcher(name = 'root',
+ weak = True,
+ startReStr = "",
+ subMatchers = [
+ SimpleMatcher(name = 'newRun',
+ startReStr = r"\s*# SampleParser #\s*",
+ repeats = True,
+ required = True,
+ forwardMatch = True,
+ sections = ['section_run'],
+ subMatchers = [
+ SimpleMatcher(name = 'header',
+ startReStr = r"\s*# SampleParser #\s*")
+ ])
+ ])
+
+# loading metadata from nomad-meta-info/meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json
+
+parserInfo = {
+ "name": "sample_parser",
+ "version": "1.0"
+}
+
+metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(__file__)),"../../../../nomad-meta-info/meta_info/nomad_meta_info/sample_parser.nomadmetainfo.json"))
+metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None)
+
+if __name__ == "__main__":
+ mainFunction(mainFileDescription, metaInfoEnv, parserInfo)
diff --git a/parser/parser-dftb+/setup_paths.py b/parser/parser-dftb+/setup_paths.py
new file mode 100644
index 0000000..e0a0fb0
--- /dev/null
+++ b/parser/parser-dftb+/setup_paths.py
@@ -0,0 +1,6 @@
+import sys, os, os.path
+baseDir = os.path.dirname(os.path.abspath(__file__))
+commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python"))
+
+if not commonDir in sys.path:
+ sys.path.insert(0, commonDir)
diff --git a/test/.DS_Store b/test/.DS_Store
new file mode 100644
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diff --git a/test/examples/README.md b/test/examples/README.md
new file mode 100644
index 0000000..aee68a4
--- /dev/null
+++ b/test/examples/README.md
@@ -0,0 +1 @@
+sample files to test the parser
--
GitLab