Interface ReactionSearchDataSource
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public interface ReactionSearchDataSource
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Field Summary
Fields Modifier and Type Field Description static long
SEARCH_TYPE_NOT_SUPPORTED
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description byte[]
getCoordinates(int row)
Returns the encoded reaction coordinates.long
getExactHash(int row)
Returns a hash code representing the exact reaction.byte[]
getMapping(int row)
Returns the encoded reaction mapping.long
getNoStereoHash(int row)
Returns a hash code representing the reaction without any stereo information.long[]
getProductDescriptor(int row)
long[]
getReactantDescriptor(int row)
byte[]
getReactionCode(int row)
Returns the reaction idcode.long[]
getReactionDescriptor(int row)
int
getRowCount()
This is the total number of records, whether they qualify for a structure search or not.boolean
isSupportedSearchType(ReactionSearchSpecification specification)
Returns true if idcodes and/or hash codes for this particular search specification are directly available by the source, i.e.
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Field Detail
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SEARCH_TYPE_NOT_SUPPORTED
static final long SEARCH_TYPE_NOT_SUPPORTED
- See Also:
- Constant Field Values
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Method Detail
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isSupportedSearchType
boolean isSupportedSearchType(ReactionSearchSpecification specification)
Returns true if idcodes and/or hash codes for this particular search specification are directly available by the source, i.e. without calculating idcodes, descriptors or hash codes on-the-fly. In case of search types other than substructure search the implementation needs to check specification.isLargestFragmentOnly(). In case of similarity searches the implementation needs to consider specification.getDescriptorShortName().- Parameters:
specification
-- Returns:
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getRowCount
int getRowCount()
This is the total number of records, whether they qualify for a structure search or not.- Returns:
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getReactionDescriptor
long[] getReactionDescriptor(int row)
- Parameters:
row
-- Returns:
- null if this row has no reaction descriptor
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getReactantDescriptor
long[] getReactantDescriptor(int row)
- Parameters:
row
-- Returns:
- null if this row has no reactant descriptor
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getProductDescriptor
long[] getProductDescriptor(int row)
- Parameters:
row
-- Returns:
- null if this row has no product descriptor
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getReactionCode
byte[] getReactionCode(int row)
Returns the reaction idcode. If the code is not available, null is returned. This method is not supposed to calculate idcodes on-the-fly.- Parameters:
row
-- Returns:
- idcode of this row or null, if no reaction is associated to this row
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getCoordinates
byte[] getCoordinates(int row)
Returns the encoded reaction coordinates.- Parameters:
row
-- Returns:
- coords of this row or null, if no reaction is associated to this row
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getMapping
byte[] getMapping(int row)
Returns the encoded reaction mapping.- Parameters:
row
-- Returns:
- mapping of this row or null, if no reaction is associated to this row
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getExactHash
long getExactHash(int row)
Returns a hash code representing the exact reaction. If this code is not available, SEARCH_TYPE_NOT_SUPPORTED is returned. This method is not supposed to calculate the code on-the-fly.- Parameters:
row
-- Returns:
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getNoStereoHash
long getNoStereoHash(int row)
Returns a hash code representing the reaction without any stereo information. If this code is not available, SEARCH_TYPE_NOT_SUPPORTED is returned. This method is not supposed to calculate the code on-the-fly.- Parameters:
row
-- Returns:
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