Class FingerprintFromFileGenerator
Class to generate (identifier, fingerprint) items, one at a time,
from a structure file. Optional property filtering controls which
structures are emitted as fingerprints. By default only unique
structures, as judged by C{id_prop}, are generated.
API Examples:
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# Only unique fingerprint for structures with a title of 'foo',
# 'bar', or 'baz' are generated.
activefps = FingerprintFromFileGenerator(
structure.StructureReader('mystructures.mae'),
fp_gen,
prop_filter={'s_m_title': ['foo', 'bar', 'baz']},
)
for id, fp in activefps:
process_fingerprint(fp)
# Only unique fingerprint for structures that don't have a title
# of 'foo', 'bar', or 'baz' are generated.
inactivefps = FingerprintFromFileGenerator(
structure.StructureReader('mystructures.mae'),
fp_gen,
prop_filter={'s_m_title': ['foo', 'bar', 'baz']},
)
inactivfps.setInvertFilter()
for id, fp in inactivefps:
process_fingerprint(fp)
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__init__(self,
file_name,
fp_gen,
id_prop=' s_m_title ' ,
prop_filter=None) |
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setUniqueIdsOnly(self)
Only generate unique occurences of <id_prop> |
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setNonUniqueIds(self)
Generate fingerprints for all occurences of structures that pass the
prop_filter. |
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_passesPropFilters(self,
st)
Returns:
True if structure's property values are defined within
self.prop_filter values. |
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__init__(self,
file_name,
fp_gen,
id_prop=' s_m_title ' ,
prop_filter=None)
(Constructor)
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- Parameters:
file_name (string) - Path to the structure file.
fp_gen (canvas.fingerprint.CanvasFingerprintGenerator) - Configured Canvas fingerprint generator.
id_prop (string) - Dataname used to track unique structures. Default is
's_m_title'.
prop_filter (dict) - Dictionary of filter values. Dataname keys for a list of values.
Default filtering will emit fingerprints only for those
structures that have any value in the lists.
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Generate fingerprints for all occurences of structures that pass the
prop_filter.
Only generate unique occurences of <id_prop>
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_passesPropFilters(self,
st)
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- Parameters:
st (structure.Structure.) - Structure to check.
- Returns:
- True if structure's property values are defined within
self.prop_filter values.
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