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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(const std::vector&lt; int &gt; iA1, const std::vector&lt; int &gt; iA2, const std::vector&lt; int &gt; nH, const std::vector&lt; int &gt; maxValency, std::vector&lt; int &gt; &amp;bondOrder, std::vector&lt; int &gt; &amp;hydrogenValency, int nAtoms, int nBonds, bool oddEvenViolate)</arglist>
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      <arglist>(const std::vector&lt; int &gt; aPositionQuery, const std::vector&lt; int &gt; iA1Query, const std::vector&lt; int &gt; iA2Query, const std::vector&lt; int &gt; bondTypesQuery, const std::vector&lt; int &gt; aPositionStructure, const std::vector&lt; int &gt; iA1Structure, const std::vector&lt; int &gt; iA2Structure, const std::vector&lt; int &gt; bondTypesStructure, int nAtomsQuery, int nBondsQuery, int nAtomsStructure, int nBondsStructure)</arglist>
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      <arglist>(const std::vector&lt; int &gt; aPosition, const std::vector&lt; int &gt; aCharge, const std::vector&lt; int &gt; aRad, const std::vector&lt; int &gt; iA1, const std::vector&lt; int &gt; iA2, const std::vector&lt; int &gt; bondTypes, std::vector&lt; int &gt; &amp;eqList, int nAtoms, int nBonds)</arglist>
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      <arglist>(OBMol *pmol, std::vector&lt; int &gt; &amp;eqList)</arglist>
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      <arglist>(OBMol *pmol, std::vector&lt; int &gt; &amp;bondStereoList, std::vector&lt; int &gt; &amp;atomStereoList, std::vector&lt; int &gt; &amp;eqList)</arglist>
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      <arglist>(TSimpleMolecule &amp;sm, int atAtom)</arglist>
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      <arglist>(string data)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol *pmol, int ntatoms, const std::vector&lt; int &gt; ix, const std::vector&lt; int &gt; aNumber, const std::vector&lt; int &gt; atomStereoList, const std::vector&lt; int &gt; eqList)</arglist>
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      <arglist>(TSimpleMolecule &amp;sm, int br, int i1, int i2)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(int bn1, int bn2, const std::vector&lt; int &gt; eqList, TSimpleMolecule &amp;sm)</arglist>
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      <name>getBondMCDL</name>
      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol *pmol, int nbStore, int ntatoms, const std::vector&lt; int &gt; ix, const std::vector&lt; int &gt; aNumber, int bonds[MAXBONDS][4], const std::vector&lt; int &gt; bondStereoList, const std::vector&lt; int &gt; eqList)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(std::string instring, std::string stringAdd)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
      <anchor>a8499ac47df50a86298d88a5079a544f6</anchor>
      <arglist>(int atomNo, int parity, TSimpleMolecule &amp;sm, std::vector&lt; int &gt; &amp;iA1, std::vector&lt; int &gt; &amp;iA2, std::vector&lt; int &gt; &amp;stereoBonds)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
      <anchor>a3c50491b940d1a3d368bf7eba3bebfa1</anchor>
      <arglist>(std::vector&lt; int &gt; &amp;iA1, std::vector&lt; int &gt; &amp;iA2, std::vector&lt; int &gt; &amp;stereoBonds, const std::vector&lt; double &gt;rx, const std::vector&lt; double &gt; ry, int acount, int bcount, std::string astereo)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
      <anchor>a417a2925a2ec60c86ff3edc04ce4142c</anchor>
      <arglist>(const std::vector&lt; int &gt; iA1, const std::vector&lt; int &gt; iA2, std::vector&lt; double &gt; &amp;rx, std::vector&lt; double &gt; &amp;ry, int acount, int bcount, std::string bstereo)</arglist>
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      <arglist>(OBMol *pmol, int bondN, int atomN, bool atomNInGroup)</arglist>
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      <arglist>(const std::string formulaString, std::vector&lt; int &gt; &amp;enumber, int &amp;valency)</arglist>
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      <arglist>(const std::string atomBlock, std::vector&lt; std::string &gt; &amp;structureList)</arglist>
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      <arglist>(OBMol *pmol, std::ostream &amp;ofs)</arglist>
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      <arglist>[NELEMMCDL]</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>[NELEMMCDL]</arglist>
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      <arglist>[NELEMMCDL]</arglist>
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      <arglist>[NELEMMCDL]</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>[NEXACTATOMS]</arglist>
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      <arglist>[NALKALYATOMS]</arglist>
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      <arglist>[NALKALYEARTHATOMS]</arglist>
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      <arglist>[NTRIVALENTATOMS]</arglist>
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      <arglist>[NVANADIUMATOMS]</arglist>
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      <arglist>[NCHROMIUMATOMS]</arglist>
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      <arglist>[NMANGANESEATOMS]</arglist>
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      <arglist>[NCOPPERATOMS]</arglist>
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      <arglist>[NMETALS]</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(const OBBitVec &amp;bv1, const OBBitVec &amp;bv2)</arglist>
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      <arglist>(OBMol *mol, const std::vector&lt; unsigned int &gt; &amp;symmetry_classes, std::vector&lt; unsigned int &gt; &amp;canonical_labels, const OBBitVec &amp;mask=OBBitVec(), int maxSeconds=5, bool onlyOne=false)</arglist>
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      <arglist>(OBMol &amp;mol, std::vector&lt; double &gt; &amp;pot)</arglist>
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      <arglist>(OBMol &amp;mol, std::vector&lt; std::vector&lt; double &gt; &gt; &amp;m)</arglist>
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      <arglist>(OBMol &amp;mol, std::vector&lt; std::vector&lt; double &gt; &gt; &amp;m)</arglist>
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      <arglist>(OBMol &amp;mol, OBAtom *, bool ReZeroZ=true)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol &amp;mol, std::vector&lt; int &gt; &amp;chirality)</arglist>
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      <arglist>(std::vector&lt; unsigned int &gt; pref)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol &amp;mol, OBAtom *atm, atomreftype i=input, atomreftype o=output)</arglist>
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      <arglist>(OBMol *mol, std::vector&lt; OBIsomorphismMapper::Mapping &gt; &amp;aut, const std::vector&lt; unsigned int &gt; &amp;symmetry_classes, const OBBitVec &amp;mask=OBBitVec(), std::size_t maxMemory=3000000)</arglist>
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      <arglist>(OBMol *mol, std::vector&lt; OBIsomorphismMapper::Mapping &gt; &amp;aut, const OBBitVec &amp;mask=OBBitVec(), std::size_t maxMemory=3000000)</arglist>
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      <arglist>(OBIsomorphismMapper::Functor &amp;functor, OBMol *mol, const std::vector&lt; unsigned int &gt; &amp;symmetry_classes, const OBBitVec &amp;mask=OBBitVec())</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(std::vector&lt; std::vector&lt; double &gt; &gt; &amp;c, std::vector&lt; std::vector&lt; double &gt; &gt; &amp;a, std::vector&lt; std::vector&lt; double &gt; &gt; &amp;b)</arglist>
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      <arglist>(double *c, double *a, double *b, int rows, int cols)</arglist>
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      <arglist>(int na)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol *pmol, const int nH[], int bondOrders[])</arglist>
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      <arglist>(const std::vector&lt; int &gt; aPosition, const std::vector&lt; int &gt; aCharge, const std::vector&lt; int &gt; aRad, const std::vector&lt; int &gt; nHydr, const std::vector&lt; int &gt; iA1, const std::vector&lt; int &gt; iA2, std::vector&lt; int &gt; &amp;bondOrders, int nAtoms, int nBonds)</arglist>
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      <arglist>(OBMol *pmol)</arglist>
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      <arglist>(const std::vector&lt; int &gt; iA1, const std::vector&lt; int &gt; iA2, std::vector&lt; double &gt; &amp;rx, std::vector&lt; double &gt; &amp;ry, int nAtoms, int nBonds)</arglist>
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      <arglist>(OBMol *pmol, std::ostream &amp;ofs)</arglist>
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      <arglist>(OBMol *query, OBMol *structure)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(const std::vector&lt; int &gt; aPositionQuery, const std::vector&lt; int &gt; iA1Query, const std::vector&lt; int &gt; iA2Query, const std::vector&lt; int &gt; bondTypesQuery, const std::vector&lt; int &gt; aPositionStructure, const std::vector&lt; int &gt; iA1Structure, const std::vector&lt; int &gt; iA2Structure, const std::vector&lt; int &gt; bondTypesStructure, int nAtomsQuery, int nBondsQuery, int nAtomsStructure, int nBondsStructure)</arglist>
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      <arglist>(OBMol *pmol, std::vector&lt; int &gt; &amp;eqList)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(const std::vector&lt; int &gt; aPosition, const std::vector&lt; int &gt; aCharge, const std::vector&lt; int &gt; aRad, const std::vector&lt; int &gt; iA1, const std::vector&lt; int &gt; iA2, const std::vector&lt; int &gt; bondTypes, std::vector&lt; int &gt; &amp;eqList, int nAtoms, int nBonds)</arglist>
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      <arglist>(OBMol *pmol, std::vector&lt; int &gt; &amp;bondStereoList, std::vector&lt; int &gt; &amp;atomStereoList, std::vector&lt; int &gt; &amp;eqList)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol *pmol, int ntatoms, const std::vector&lt; int &gt; ix, const std::vector&lt; int &gt; aNumber, const std::vector&lt; int &gt; atomStereoList, const std::vector&lt; int &gt; eqList)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol *pmol, int nbStore, int ntatoms, const std::vector&lt; int &gt; ix, const std::vector&lt; int &gt; aNumber, int bonds[MAXBONDS][4], const std::vector&lt; int &gt; bondStereoList, const std::vector&lt; int &gt; eqList)</arglist>
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      <arglist>(std::vector&lt; std::vector&lt; double &gt; &gt; &amp;rotorWeights, std::vector&lt; int &gt; rotorKey, double bonus)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(const std::pair&lt; OBAtom *, unsigned int &gt; &amp;a, const std::pair&lt; OBAtom *, unsigned int &gt; &amp;b)</arglist>
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      <arglist>(ostream &amp;os, const OBFloatGrid &amp;fg)</arglist>
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      <arglist>(istream &amp;is, OBFloatGrid &amp;fg)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(const std::string &amp;label, const std::vector&lt; T &gt; &amp;v)</arglist>
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      <arglist>(OBMol *mol, const OBBitVec &amp;mask, const std::vector&lt; unsigned int &gt; &amp;symClasses)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
      <anchor>a6239f809ba8a88712a94f2a6bb90a485</anchor>
      <arglist>(OBMol *mol, Automorphisms &amp;maps, const OBBitVec &amp;mask, std::size_t maxMemory)</arglist>
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      <arglist>(OBMol *mol, Automorphisms &amp;maps, const std::vector&lt; unsigned int &gt; &amp;symClasses, const OBBitVec &amp;mask, std::size_t maxMemory)</arglist>
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      <arglist>(OBMol *mol, OBAtom *atom, OBBitVec &amp;avisit, OBBitVec &amp;cvisit, const OBBitVec &amp;potAromBonds, int rootIdx, Timeout &amp;timeout, int prevAtomIdx, int depth)</arglist>
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      <arglist>(OBMol *mol, int bond_idx, std::vector&lt; int &gt; &amp;atomState, std::vector&lt; int &gt; &amp;bondState, Timeout &amp;timeout)</arglist>
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      <arglist>(OBMol *mol, std::vector&lt; int &gt; &amp;atomState, std::vector&lt; int &gt; &amp;bondState, std::vector&lt; OBRing * &gt; &amp;lssr, std::vector&lt; bool &gt; &amp;lssrAssigned, std::vector&lt; OBBond * &gt; &amp;bondsThisRing)</arglist>
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      <arglist>(std::vector&lt; OBBond * &gt; &amp;bondsThisRing, std::vector&lt; int &gt; &amp;bondState)</arglist>
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      <arglist>(OBMol *mol, OBBitVec &amp;bonds)</arglist>
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      <arglist>(OBMol *mol, OBRing *ring, std::vector&lt; OBBond * &gt; &amp;ring_bonds)</arglist>
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      <arglist>(OBMol *mol, std::vector&lt; int &gt; &amp;atomState)</arglist>
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      <arglist>(OBMol *mol, std::vector&lt; int &gt; &amp;atomState, std::vector&lt; int &gt; &amp;bondState)</arglist>
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      <arglist>(const std::vector&lt; int &gt;iA1, const std::vector&lt; int &gt;iA2, const std::vector&lt; int &gt; nH, const std::vector&lt; int &gt; hydrogenValency, std::vector&lt; int &gt; &amp;bondOrder, int nAtoms, int nBonds)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(unsigned int m, unsigned int a)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(unsigned int x, unsigned int *factors)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(unsigned int m)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(unsigned int m, unsigned int *pm, unsigned int *pa, unsigned int *pc)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(const char *atomid)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(OBMol &amp;)</arglist>
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      <anchorfile>namespaceOpenBabel.shtml</anchorfile>
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      <arglist>(double x)</arglist>
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      <arglist>(OBMol &amp;, vector&lt; int &gt; &amp;, OBBitVec &amp;)</arglist>
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      <arglist>(OBMol *mol)</arglist>
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      <arglist>(OBMol *mol, const OBStereoUnitSet &amp;stereoUnits, const std::map&lt; OBBond *, enum OBStereo::BondDirection &gt; *updown=NULL, bool addToMol=true)</arglist>
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      <arglist>(OBMol &amp;mol, std::map&lt; OBBond *, enum OBStereo::BondDirection &gt; &amp;updown, std::map&lt; OBBond *, OBStereo::Ref &gt; &amp;from)</arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist>(OBMol &amp;mol)</arglist>
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      <arglist>(OBMol &amp;mol)</arglist>
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      <arglist>(OBMol &amp;mol)</arglist>
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      <arglist>()</arglist>
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      <arglist>(double angle)</arglist>
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      <arglist>(triple&lt; OBAtom *, OBAtom *, OBAtom * &gt; &amp;atoms)</arglist>
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      <arglist>()</arglist>
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      <arglist></arglist>
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      <arglist>(OBAngle &amp;)</arglist>
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      <arglist>()</arglist>
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      <arglist></arglist>
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      <arglist>(bool openShell)</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(std::vector&lt; double &gt; energies, std::vector&lt; std::string &gt; symmetries, int betaHOMO)</arglist>
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      <arglist></arglist>
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      <arglist>(const std::vector&lt; double &gt; &amp;)</arglist>
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      <arglist>(const std::vector&lt; double &gt; &amp;)</arglist>
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      <arglist>(const std::vector&lt; double &gt; &amp;)</arglist>
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      <arglist>() const </arglist>
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      <arglist>() const </arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist>(OBAtom *a, OBAtom *b, OBAtom *c, OBAtom *d)</arglist>
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      <arglist>(OBAtom *a, OBAtom *b, OBAtom *c)</arglist>
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      <arglist>(std::vector&lt; OBInternalCoord * &gt; int_coord)</arglist>
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      <arglist>(bool val)</arglist>
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      <arglist>(int flags)</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(int flag)</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(std::vector&lt; int &gt; &amp;children, int bgnIdx, int endIdx)</arglist>
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      <arglist>(std::vector&lt; OBAtom * &gt; &amp;children, OBAtom *bgn, OBAtom *end)</arglist>
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      <arglist>(OBBitVec &amp;frag)</arglist>
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      <arglist>(std::vector&lt; std::vector&lt; int &gt; &gt; &amp;)</arglist>
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      <arglist>(OBAtom *, OBAtom *, vector3 &amp;, vector3 &amp;)</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(std::vector&lt; int &gt; &amp;)</arglist>
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      <arglist>(std::vector&lt; unsigned int &gt; &amp;)</arglist>
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      <arglist>(std::vector&lt; unsigned int &gt; &amp;)</arglist>
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      <arglist>(bool Not3D=false)</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(std::vector&lt; double * &gt; &amp;v)</arglist>
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      <arglist>(double *f)</arglist>
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      <arglist>(int i)</arglist>
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      <arglist>(int nconf)</arglist>
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      <arglist>(int i)</arglist>
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      <arglist>(std::vector&lt; double &gt; &amp;energies)</arglist>
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      <arglist>()</arglist>
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      <arglist>(int ci)</arglist>
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      <arglist>(std::vector&lt; double * &gt;::iterator &amp;i)</arglist>
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      <anchorfile>classOpenBabel_1_1OBMol.shtml</anchorfile>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(OBAtomIterator &amp;i)</arglist>
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      <arglist>(OBAtomIterator &amp;i)</arglist>
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      <arglist>(OBBondIterator &amp;i)</arglist>
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      <arglist>(OBBondIterator &amp;i)</arglist>
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      <arglist>(OBResidueIterator &amp;i)</arglist>
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      <arglist>(const char *)</arglist>
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      <arglist>(unsigned int type)</arglist>
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      <arglist>(OBGenericData *)</arglist>
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      <arglist>(OBGenericData *d)</arglist>
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      <arglist>(OBGenericData *d)</arglist>
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      <arglist>(const unsigned int type)</arglist>
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      <arglist>(const char *)</arglist>
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      <arglist>()</arglist>
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      <arglist>(DataOrigin source)</arglist>
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      <arglist>(const unsigned int type)</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(int flag)</arglist>
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      <arglist>(int flag)</arglist>
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      <arglist>(std::vector&lt; OBAtom * &gt; &amp;cycle, std::vector&lt; int &gt; &amp;electron)</arglist>
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      <arglist>(int bond_idx, std::vector&lt; int &gt; &amp;atomState, std::vector&lt; int &gt; &amp;bondState)</arglist>
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      <arglist>(std::vector&lt; int &gt; &amp;atomState)</arglist>
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      <arglist>(OBAtom *atom)</arglist>
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      <arglist>(OBAtom *atom, OBBitVec &amp;avisit, const OBBitVec &amp;potAromBonds)</arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <type>std::vector&lt; OBAtom * &gt;</type>
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      <arglist></arglist>
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      <type>std::vector&lt; OBAtom * &gt;</type>
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      <arglist></arglist>
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      <type>std::vector&lt; OBBond * &gt;</type>
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      <arglist></arglist>
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      <type>std::vector&lt; OBBond * &gt;</type>
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      <arglist></arglist>
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    <member kind="variable" protection="protected">
      <type>unsigned short int</type>
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      <anchorfile>classOpenBabel_1_1OBMol.shtml</anchorfile>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <type>std::vector&lt; double * &gt;</type>
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      <arglist></arglist>
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    <member kind="variable" protection="protected">
      <type>double</type>
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      <arglist></arglist>
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      <arglist></arglist>
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      <arglist></arglist>
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      <type>std::vector&lt; OBResidue * &gt;</type>
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      <arglist></arglist>
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      <type>std::vector&lt; OBInternalCoord * &gt;</type>
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      <arglist></arglist>
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      <arglist></arglist>
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      <type>std::vector&lt; OBGenericData * &gt;</type>
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      <arglist></arglist>
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      <arglist>(void)</arglist>
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      <arglist>(bool nukePerceivedData=true)</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>()</arglist>
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      <arglist>(const std::map&lt; std::string, std::string &gt; *pOptions, OBConversion *pConv)</arglist>
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      <arglist>()</arglist>
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      <arglist>(std::vector&lt; OBAtom * &gt; &amp;)</arglist>
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      <arglist>(double *c)</arglist>
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      <arglist>()</arglist>
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      <arglist>(const vector3 &amp;v)</arglist>
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