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# Copyright (c) 2013-2020, SIB - Swiss Institute of Bioinformatics and
# Biozentrum - University of Basel
#
# 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.
'''Convert files from portable to raw.'''
import sys
import os
from promod3 import loop
if len(sys.argv) != 4:
print("usage: python convert_binaries.py PORTABLE_FILE_IN RAW_FILE_OUT CLASS")
sys.exit(1)
portable_file_in = sys.argv[1]
raw_file_out = sys.argv[2]
class_name = sys.argv[3]
if class_name == "TorsionSampler":
my_data = loop.TorsionSampler.LoadPortable(portable_file_in, 0)
elif class_name == "FragDB":
my_data = loop.FragDB.LoadPortable(portable_file_in)
elif class_name == "StructureDB":
my_data = loop.StructureDB.LoadPortable(portable_file_in)
elif class_name == "ForcefieldLookup":
my_data = loop.ForcefieldLookup.LoadPortable(portable_file_in)
else:
raise RuntimeError("Cannot convert class " + class_name)
my_data.Save(raw_file_out)
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