mirror of
https://github.com/rdkit/rdkit.git
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174 lines
4.2 KiB
OpenEdge ABL
174 lines
4.2 KiB
OpenEdge ABL
/*
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* $Id$
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*
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* Copyright (c) 2010, Novartis Institutes for BioMedical Research Inc.
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* All rights reserved.
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*
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* Redistribution and use in source and binary forms, with or without
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* modification, are permitted provided that the following conditions are
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* met:
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*
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* * Redistributions of source code must retain the above copyright
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* notice, this list of conditions and the following disclaimer.
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* * Redistributions in binary form must reproduce the above
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* copyright notice, this list of conditions and the following
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* disclaimer in the documentation and/or other materials provided
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* with the distribution.
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* * Neither the name of Novartis Institutes for BioMedical Research Inc.
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* nor the names of its contributors may be used to endorse or promote
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* products derived from this software without specific prior written permission.
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*
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* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
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* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
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* A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
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* OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
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* SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
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* LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
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* DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
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* THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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* OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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*/
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%typemap(javaimports) RDKit::RingInfo "
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/**
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A class to store information about a molecule's rings. */"
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%javamethodmodifiers RDKit::RingInfo::addRing ( const INT_VECT & atomIndices, const INT_VECT & bondIndices ) "
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/**
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<p>
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adds a ring to our data
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<p>
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<p>
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@param
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atomIndices the integer indices of the atoms involved in the ring
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bondIndices the integer indices of the bonds involved in the ring, this must be the same size as atomIndices.
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<p>
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@return
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the number of rings
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::atomRings ( ) const "
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/**
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<p>
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<p>
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@return
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our atom-rings vectors
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::bondRings ( ) const "
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/**
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<p>
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<p>
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@return
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our bond-rings vectors
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::isAtomInRingOfSize ( unsigned int idx, unsigned int size ) const"
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/**
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<p>
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<p>
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@return
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whether or not the atom with index idx is in a size - ring.
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::isBondInRingOfSize ( unsigned int idx, unsigned int size ) const"
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/**
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<p>
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<p>
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@return
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whether or not the bond with index idx is in a size - ring.
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::minAtomRingSize ( unsigned int idx ) const"
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/**
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<p>
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<p>
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@return
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the size of the smallest ring atom idx is involved in
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::minBondRingSize ( unsigned int idx ) const"
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/**
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<p>
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<p>
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@return
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the size of the smallest ring bond idx is involved in
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::numAtomRings ( unsigned int idx ) const"
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/**
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<p>
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<p>
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@return
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the number of rings atom idx is involved in
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::numBondRings ( unsigned int idx ) const"
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/**
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<p>
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<p>
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@return
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the number of rings bond idx is involved in
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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%javamethodmodifiers RDKit::RingInfo::numRings ( ) const"
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/**
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<p>
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<p>
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@return
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the total number of rings
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<p>
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@notes
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<li>the object must be initialized before calling this
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*/
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public";
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