From db655e77ac83f90fae32ddf2a392e0d3af72a4fb Mon Sep 17 00:00:00 2001
From: lopa <pardini@physik.hu-berlin.de>
Date: Thu, 3 May 2018 14:50:43 +0200
Subject: [PATCH] adapted headers
---
parser/parser-elastic/elastic_parser_input.py | 80 -------------------
.../elastic_parser_input_exciting.py | 5 +-
.../elastic_parser_input_wien2k.py | 5 +-
parser/parser-elastic/parser_elastic.py | 5 +-
4 files changed, 6 insertions(+), 89 deletions(-)
delete mode 100644 parser/parser-elastic/elastic_parser_input.py
diff --git a/parser/parser-elastic/elastic_parser_input.py b/parser/parser-elastic/elastic_parser_input.py
deleted file mode 100644
index 63b69f0..0000000
--- a/parser/parser-elastic/elastic_parser_input.py
+++ /dev/null
@@ -1,80 +0,0 @@
-# Copyright 2016-2018 The NOMAD Developers Group
-#
-# 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.
-#
-# Main author and maintainer: Lorenzo Pardini <loren.pard@gmail.com>
-import xml.sax
-import logging
-import numpy as np
-from nomadcore.unit_conversion.unit_conversion import convert_unit_function
-from nomadcore.unit_conversion.unit_conversion import convert_unit
-from nomadcore.unit_conversion import unit_conversion
-
-class InputHandler(xml.sax.handler.ContentHandler):
-
- def __init__(self, backend):
- self.backend = backend
- self.inputSectionGIndex = -1
- self.basevect = []
- self.latticeDummy = ''
- self.CurrentData = ''
- self.atomCoor = []
- self.atomCoorDummy = []
- self.speciesfileDummy = ''
- self.speciesfile = []
- self.scale = 1
- self.cell = []
- self.cellDummy = []
-
- def endDocument(self):
- bohr_to_m = convert_unit(1, "bohr", "m")
- for i in range(0,len(self.cellDummy)):
- for j in range(0,3):
- self.cell[i].append(float(self.cellDummy[i][j])*self.scale*bohr_to_m)
- self.backend.addValue("lattice_vectors", self.cell)
- self.backend.addValue('atom_positions',self.atomCoor)
- for i in range(0,len(self.atomCoor)):
- self.speciesfile.append(self.speciesfileDummy)
- self.backend.addValue("atom_labels", self.speciesfile)
- def startElement(self, name, attrs):
- self.CurrentData = name
- if name == "crystal":
- self.scale = float(attrs.getValue('scale'))
- elif name == 'species':
- self.speciesfileDummy = attrs.getValue('speciesfile')[:-4]
- elif name == 'atom':
- self.atomCoorDummy = attrs.getValue('coord').split()
- for j in range(0,3):
- self.atomCoorDummy[j]=float(self.atomCoorDummy[j])
- self.atomCoor.append(self.atomCoorDummy)
- else:
- pass
-
- def endElement(self, name):
- pass
-
- def characters(self, content):
- if self.CurrentData == 'basevect':
- self.latticeDummy = content
- lattice = self.latticeDummy.split()
- if lattice != []:
- self.cellDummy.append(lattice)
- self.cell.append([])
- else:
- pass
-
-def parseInput(inF, backend):
- handler = InputHandler(backend)
- logging.error("will parse")
- xml.sax.parse(inF, handler)
- logging.error("did parse")
diff --git a/parser/parser-elastic/elastic_parser_input_exciting.py b/parser/parser-elastic/elastic_parser_input_exciting.py
index 78b4dd6..e4fd63b 100644
--- a/parser/parser-elastic/elastic_parser_input_exciting.py
+++ b/parser/parser-elastic/elastic_parser_input_exciting.py
@@ -1,4 +1,4 @@
-# Copyright 2016-2018 The NOMAD Developers Group
+# Copyright 2017-2018 Lorenzo Pardini
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
@@ -11,8 +11,7 @@
# 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.
-#
-# Main author and maintainer: Lorenzo Pardini <loren.pard@gmail.com>
+
import xml.sax
import logging
import numpy as np
diff --git a/parser/parser-elastic/elastic_parser_input_wien2k.py b/parser/parser-elastic/elastic_parser_input_wien2k.py
index 63b69f0..93a17d3 100644
--- a/parser/parser-elastic/elastic_parser_input_wien2k.py
+++ b/parser/parser-elastic/elastic_parser_input_wien2k.py
@@ -1,4 +1,4 @@
-# Copyright 2016-2018 The NOMAD Developers Group
+# Copyright 2017-2018 Lorenzo Pardini
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
@@ -11,8 +11,7 @@
# 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.
-#
-# Main author and maintainer: Lorenzo Pardini <loren.pard@gmail.com>
+
import xml.sax
import logging
import numpy as np
diff --git a/parser/parser-elastic/parser_elastic.py b/parser/parser-elastic/parser_elastic.py
index 8735ac5..b916c90 100644
--- a/parser/parser-elastic/parser_elastic.py
+++ b/parser/parser-elastic/parser_elastic.py
@@ -1,4 +1,4 @@
-# Copyright 2016-2018 The NOMAD Developers Group
+# Copyright 2017-2018 Lorenzo Pardini
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
@@ -11,8 +11,7 @@
# 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.
-#
-# Main author and maintainer: Lorenzo Pardini <loren.pard@gmail.com>
+
from builtins import object
import setup_paths
import numpy as np
--
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