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add authorship to all modules
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luponzo86 committed Dec 10, 2019
1 parent a6d9d3c commit d9e6318
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Showing 18 changed files with 113 additions and 6 deletions.
6 changes: 6 additions & 0 deletions rhapsody/__init__.py
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__release__ = __version__

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = []

from . import utils
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6 changes: 6 additions & 0 deletions rhapsody/features/BLOSUM.py
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import numpy as np
from Bio.SubsMat.MatrixInfo import blosum62

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['BLOSUM_FEATS', 'calcBLOSUMfeatures']

BLOSUM_FEATS = ['BLOSUM']
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17 changes: 11 additions & 6 deletions rhapsody/features/EVmutation.py
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from os.path import splitext, join, basename
from prody import SETTINGS, LOGGER

# extract precomputed EVmutation scores for given mutants
# NB:
# negative DeltaE_epist --> deleterious effect
# DeltaE_epist == 0 --> neutral effect (wild-type)
# positive DeltaE_epist --> neutral/benign effect

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['EVMUT_FEATS', 'recoverEVmutFeatures']

Expand All @@ -35,6 +34,12 @@ def recoverEVmutFeatures(SAVs):
LOGGER.timeit('_EVmut')
LOGGER.info('Recovering EVmutation data...')

# extracts precomputed EVmutation scores for given mutants
# NB:
# negative DeltaE_epist --> deleterious effect
# DeltaE_epist == 0 --> neutral effect (wild-type)
# positive DeltaE_epist --> neutral/benign effect

def find_matching_files(file_list, acc, pos):
match_files = []
for fname in [f for f in file_list if f.startswith(acc)]:
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5 changes: 5 additions & 0 deletions rhapsody/features/PDB.py
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from prody import reduceModel, sliceModel
from prody import execDSSP, parseDSSP

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['STR_FEATS', 'DYN_FEATS', 'PDB_FEATS',
'PDBfeatures', 'calcPDBfeatures']
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6 changes: 6 additions & 0 deletions rhapsody/features/Pfam.py
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from prody import LOGGER
from .Uniprot import UniprotMapping

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['PFAM_FEATS', 'calcPfamFeatures']

PFAM_FEATS = ['entropy', 'ranked_MI']
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6 changes: 6 additions & 0 deletions rhapsody/features/PolyPhen2.py
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from requests.packages.urllib3.util.retry import Retry
from math import log

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['PP2_FEATS', 'queryPolyPhen2', 'parsePolyPhen2output',
'getSAVcoords', 'calcPolyPhen2features']

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6 changes: 6 additions & 0 deletions rhapsody/features/Uniprot.py
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Expand Up @@ -14,6 +14,12 @@
from Bio.pairwise2 import format_alignment
from Bio.SubsMat import MatrixInfo as matlist

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['UniprotMapping', 'mapSAVs2PDB', 'seqScanning', 'printSAVlist']


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6 changes: 6 additions & 0 deletions rhapsody/features/__init__.py
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EVmutation precomputed data.
"""

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['RHAPSODY_FEATS']

from . import Uniprot
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6 changes: 6 additions & 0 deletions rhapsody/predict/__init__.py
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__all__ = []

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

from . import core
from .core import *
__all__.extend(core.__all__)
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5 changes: 5 additions & 0 deletions rhapsody/train/RFtraining.py
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from .figures import print_pred_distrib_figure, print_path_prob_figure
from .figures import print_ROC_figure, print_feat_imp_figure

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['calcScoreMetrics', 'calcClassMetrics', 'calcPathogenicityProbs',
'RandomForestCV', 'trainRFclassifier',
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6 changes: 6 additions & 0 deletions rhapsody/train/__init__.py
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assess their accuracy.
"""

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = []

from . import RFtraining
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6 changes: 6 additions & 0 deletions rhapsody/train/figures.py
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import numpy as np
from prody import LOGGER

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['print_pred_distrib_figure', 'print_path_prob_figure',
'print_ROC_figure', 'print_feat_imp_figure']

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6 changes: 6 additions & 0 deletions rhapsody/utils/__init__.py
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and for accessing installation settings and other parameters.
"""

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = []

from . import settings
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6 changes: 6 additions & 0 deletions rhapsody/utils/misc.py
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import prody as pd
import rhapsody as rd

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['DEFAULT_FEATSETS', 'initialSetup',
'getDefaultTrainingDataset', 'getDefaultClassifiers',
'importDefaultClassifier', 'delSettings', 'getSettings']
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6 changes: 6 additions & 0 deletions rhapsody/utils/settings.py
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import prody as pd
import rhapsody as rd

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

__all__ = ['DEFAULT_FEATSETS', 'initialSetup',
'getDefaultTrainingDataset', 'getDefaultClassifiers',
'importDefaultClassifier', 'delSettings', 'getSettings']
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6 changes: 6 additions & 0 deletions setup.py
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from os import path
from io import open

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"

here = path.abspath(path.dirname(__file__))
with open(path.join(here, 'VERSION'), encoding='utf-8') as f:
version = f.read()
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7 changes: 7 additions & 0 deletions test/test-1/test-1.py
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sys.path.append('../../')
import rhapsody as rd

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"


# temporarily switch to new set of folders
if not os.path.isdir('workspace'):
os.mkdir('workspace')
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7 changes: 7 additions & 0 deletions test/test-2/test-2.py
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sys.path.append('../../')
import rhapsody as rd

__author__ = "Luca Ponzoni"
__date__ = "December 2019"
__maintainer__ = "Luca Ponzoni"
__email__ = "[email protected]"
__status__ = "Production"


# temporarily switch to new set of folders
if not os.path.isdir('workspace'):
os.mkdir('workspace')
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