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<div class="title">Deprecated List </div> </div>
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<div class="contents">
<div class="textblock"><dl class="reflist">
<dt><a class="anchor" id="_deprecated000079"></a>Member <a class="el" href="classOpenBabel_1_1matrix3x3.shtml#a0aba6c9a55fa03689378594bb58f1ff1">matrix3x3::Get</a> (int row, int column) const </dt>
<dd>use the constant operator() instead </dd>
<dt><a class="anchor" id="_deprecated000095"></a>Member <a class="el" href="classOpenBabel_1_1matrix3x3.shtml#a031b9641f48f7639949cad29a6a99109">matrix3x3::PlaneReflection</a> (const vector3 &norm)</dt>
<dd>This method will probably replaced by a safer algorithm in the future. </dd>
<dt><a class="anchor" id="_deprecated000096"></a>Member <a class="el" href="classOpenBabel_1_1matrix3x3.shtml#ae2b83cb7b73473405cd57594c88f541c">matrix3x3::RotAboutAxisByAngle</a> (const vector3 &axis, const double angle)</dt>
<dd>This method will probably replaced by a safer algorithm in the future. </dd>
<dt><a class="anchor" id="_deprecated000080"></a>Member <a class="el" href="classOpenBabel_1_1matrix3x3.shtml#aae7e56afba0365c34add2d93288995ca">matrix3x3::Set</a> (int row, int column, double v)</dt>
<dd>use the non-constant operator() instead </dd>
<dt><a class="anchor" id="_deprecated000006"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a042ed0fe3ac49c9505f9f79d07469423">OBAtom::GetCIdx</a> () const </dt>
<dd>Use GetCoordinateIdx() instead </dd>
<dt><a class="anchor" id="_deprecated000007"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#ad3bbdba4326cf884eeb110b02f7caef7">OBAtom::GetNextAtom</a> ()</dt>
<dd>Use any of the other iterator methods. This method will be removed in the future. </dd>
<dt><a class="anchor" id="_deprecated000013"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a8844e382c76003229ee5fdd0341aacee">OBAtom::HasChiralitySpecified</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000014"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a63911efd550113b275239d322670986d">OBAtom::HasChiralVolume</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000010"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#af3abb70d4f818b9c3e416928afa2e844">OBAtom::IsAntiClockwise</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000009"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a4d1f38bbe03483629778078dcc4e75a0">OBAtom::IsClockwise</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000012"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a61e5344c34c172e9b889e59255aff6de">OBAtom::IsNegativeStereo</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000011"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a9880a080dd0bce244291bde514b67d20">OBAtom::IsPositiveStereo</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000008"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a566764b6577e8ba6a4959bd0f2e25076">OBAtom::KBOSum</a> () const </dt>
<dd>Use BOSum() instead </dd>
<dt><a class="anchor" id="_deprecated000002"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#af328f0aa99465103074b1d336c393919">OBAtom::SetAntiClockwiseStereo</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000001"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#adf069c94123595712cb7fa847b87e449">OBAtom::SetClockwiseStereo</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000083"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#af7a144a4ef755d5cc31e0d2e47a2e84a">OBAtom::SetHybAndGeom</a> (int)</dt>
<dd>This will be removed in future versions of Open Babel </dd>
<dt><a class="anchor" id="_deprecated000004"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#aea322d9d450ee48fb2e89a4f7c34deda">OBAtom::SetNegativeStereo</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000003"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a6ddbbbc5f8e185c43e634a0425311275">OBAtom::SetPositiveStereo</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000005"></a>Member <a class="el" href="classOpenBabel_1_1OBAtom.shtml#afdf42f73fe8a0cec0db3c3e544830fcc">OBAtom::UnsetStereo</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000094"></a>Member <a class="el" href="classOpenBabel_1_1OBAtomTyper.shtml#a0d8f018cbaaa9d313b45e468f77afea2">OBAtomTyper::CorrectAromaticNitrogens</a> (OBMol &)</dt>
<dd>Currently unused for anything significant. </dd>
<dt><a class="anchor" id="_deprecated000016"></a>Member <a class="el" href="classOpenBabel_1_1OBBitVec.shtml#ad06f035d55e669326f14cd7c6ff724cc">OBBitVec::BitIsOn</a> (int bit_offset) const </dt>
<dd>Use BitIsSet(unsigned bit_offset) instead. </dd>
<dt><a class="anchor" id="_deprecated000015"></a>Member <a class="el" href="classOpenBabel_1_1OBBitVec.shtml#a6fcfd4a80bfd7dc324f815cd351bfbdf">OBBitVec::Empty</a> () const </dt>
<dd>Use IsEmpty() instead. </dd>
<dt><a class="anchor" id="_deprecated000022"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#ad4d2cadd80651fe9e8bc35c492aa5667">OBBond::GetBO</a> () const </dt>
<dd>Use GetBondOrder() as this method may be removed. </dd>
<dt><a class="anchor" id="_deprecated000024"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#a1293d36d6ef65f89892ed57092aeb157">OBBond::IsKDouble</a> ()</dt>
<dd>Use IsDouble() instead </dd>
<dt><a class="anchor" id="_deprecated000023"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#a3dcf63c2cdd597361fe1f140501fb4e7">OBBond::IsKSingle</a> ()</dt>
<dd>Use IsSingle() instead </dd>
<dt><a class="anchor" id="_deprecated000025"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#ad2ccb49198384c9d22b47ac7d0c4de90">OBBond::IsKTriple</a> ()</dt>
<dd>Use IsTriple() instead </dd>
<dt><a class="anchor" id="_deprecated000018"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#a3b00183cecf8df500db30888b4f83e70">OBBond::SetBO</a> (int order)</dt>
<dd>Use SetBondOrder() instead. </dd>
<dt><a class="anchor" id="_deprecated000020"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#a2372682111abb0a7d49ba2f6caa7f51f">OBBond::SetKDouble</a> ()</dt>
<dd>Use SetBondOrder() instead </dd>
<dt><a class="anchor" id="_deprecated000019"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#acb95632fbaba13a5aa138725a20f2c0b">OBBond::SetKSingle</a> ()</dt>
<dd>Use SetBondOrder() instead </dd>
<dt><a class="anchor" id="_deprecated000021"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#a068e086977f8e15b07d3c3d32f622ead">OBBond::SetKTriple</a> ()</dt>
<dd>Use SetBondOrder() instead </dd>
<dt><a class="anchor" id="_deprecated000017"></a>Member <a class="el" href="classOpenBabel_1_1OBBond.shtml#a6368d7673f23186649b2969ade3661d7">OBBond::Visit</a> </dt>
<dd>Use OBBitVec objects instead to be fully thread-safe. </dd>
<dt><a class="anchor" id="_deprecated000045"></a>Class <a class="el" href="classOpenBabel_1_1OBChiralData.shtml">OBChiralData</a> </dt>
<dd>Used OBStereoFacade instead </dd>
<dt><a class="anchor" id="_deprecated000034"></a>Member <a class="el" href="classOpenBabel_1_1OBElement.shtml#adc9911e43430fd65726f393308db7e6e">OBElement::OBElement</a> ()</dt>
<dd>Not used. Instead, initialize element properties </dd>
<dt><a class="anchor" id="_deprecated000035"></a>Member <a class="el" href="classOpenBabel_1_1OBElementTable.shtml#a8228e8800bb8fae4658c751d6e999918">OBElementTable::GetAtomicNum</a> (const char *)</dt>
<dd>Does not properly handle 'D' or 'T' hydrogen isotopes </dd>
<dt><a class="anchor" id="_deprecated000051"></a>Member <a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml#a6e6665768ad3b8fc18276c6517c0b03d">OBFloatGrid::GetDim</a> (int *a)</dt>
<dd>May be removed in future. </dd>
<dt><a class="anchor" id="_deprecated000049"></a>Member <a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml#a1aa43bea8911cf7665f6e2fd151b609c">OBFloatGrid::GetMax</a> (double *a)</dt>
<dd>Will be removed. </dd>
<dt><a class="anchor" id="_deprecated000048"></a>Member <a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml#ab3d065904c33ecf6eaae0199fe6d0592">OBFloatGrid::GetMin</a> (double *a)</dt>
<dd>Will be removed. Use </dd>
<dt><a class="anchor" id="_deprecated000050"></a>Member <a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml#a78f75c8108f8539c255711029b37cedc">OBFloatGrid::GetSpacing</a> (double &s)</dt>
<dd>Will be removed. </dd>
<dt><a class="anchor" id="_deprecated000053"></a>Member <a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml#a5eb7667a7f7ac9876e632c35231fc44a">OBFloatGrid::GetVals</a> ()</dt>
<dd>Will be removed. </dd>
<dt><a class="anchor" id="_deprecated000052"></a>Member <a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml#a009627e179cde33c9c0150d6a06214fd">OBFloatGrid::SetLimits</a> (const double origin[3], const double x[3], const double y[3], const double z[3])</dt>
<dd>Will be removed. </dd>
<dt><a class="anchor" id="_deprecated000054"></a>Member <a class="el" href="classOpenBabel_1_1OBFloatGrid.shtml#a70b7ebc269d7a65e00d8eae51a5f01f4">OBFloatGrid::SetVals</a> (double *ptr)</dt>
<dd>Will be removed. </dd>
<dt><a class="anchor" id="_deprecated000040"></a>Member <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5f08066361ace92acfa362df93fafd76">OBForceField::LineSearch</a> (OBAtom *atom, vector3 &direction)</dt>
<dd>Current code should use LineSearch(double *, double*) instead. </dd>
<dt><a class="anchor" id="_deprecated000039"></a>Member <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5c29065ad6e1322ade9087657bc576ec">OBForceField::UpdateConformers</a> (OBMol &mol)</dt>
<dd>Use GetConformers instead. </dd>
<dt><a class="anchor" id="_deprecated000038"></a>Member <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab9bff2ca9aad359da6491fa4c3f46577">OBForceField::UpdateCoordinates</a> (OBMol &mol)</dt>
<dd>Use GetCooordinates instead. </dd>
<dt><a class="anchor" id="_deprecated000042"></a>Member <a class="el" href="classOpenBabel_1_1OBForceField.shtml#afe981b8f96a737d0228fbf62c4c94417">OBForceField::VectorAngleDerivative</a> (vector3 &a, vector3 &b, vector3 &c)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000041"></a>Member <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab451a524c7a4f04bb987b3fac9288eed">OBForceField::VectorLengthDerivative</a> (vector3 &a, vector3 &b)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000043"></a>Member <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4b7e7649d0928a2cb6a2123e3e4dec6f">OBForceField::VectorOOPDerivative</a> (vector3 &a, vector3 &b, vector3 &c, vector3 &d)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000044"></a>Member <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4d4709cf0de47e7c6f44da4e21f20c9f">OBForceField::VectorTorsionDerivative</a> (vector3 &a, vector3 &b, vector3 &c, vector3 &d)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000055"></a>Member <a class="el" href="classOpenBabel_1_1OBGridData.shtml#a49001a7fa2061cbf41d8ec868a895f92">OBGridData::GetOriginVector</a> (double o[3]) const </dt>
<dd>Will be removed. </dd>
<dt><a class="anchor" id="_deprecated000056"></a>Member <a class="el" href="classOpenBabel_1_1OBGridData.shtml#a009627e179cde33c9c0150d6a06214fd">OBGridData::SetLimits</a> (const double origin[3], const double x[3], const double y[3], const double z[3])</dt>
<dd>Will be removed. </dd>
<dt><a class="anchor" id="_deprecated000057"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#afd5176ccf4c318a93379716d48ab01e8">OBMol::CreateAtom</a> (void)</dt>
<dd>Use NewAtom instead, which ensures internal connections </dd>
<dt><a class="anchor" id="_deprecated000058"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#aed69c2ff7d45271240ee8e33f4344d5a">OBMol::CreateBond</a> (void)</dt>
<dd>Use NewBond instead, which ensures internal connections </dd>
<dt><a class="anchor" id="_deprecated000059"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#a3803d9a4c2a776560b0c36bc2e788132">OBMol::CreateResidue</a> (void)</dt>
<dd>Use NewResidue instead, which ensures internal connections </dd>
<dt><a class="anchor" id="_deprecated000087"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#a6be250d574bdbcae500c9207cb0f2400">OBMol::expand_kekulize</a> (int bond_idx, std::vector< int > &atomState, std::vector< int > &bondState)</dt>
<dd>Will no longer be a public, visible method </dd>
<dt><a class="anchor" id="_deprecated000090"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#af1afc15e37f48f63ea001277fef0e289">OBMol::expandcycle</a> (OBAtom *atom, OBBitVec &avisit, const OBBitVec &potAromBonds)</dt>
<dd>Will no longer be a public, visible method </dd>
<dt><a class="anchor" id="_deprecated000061"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#a3368586a5a86bd9684f4b25ac53d2e44">OBMol::FindChiralCenters</a> ()</dt>
<dd>See FindStereogenicUnits </dd>
<dt><a class="anchor" id="_deprecated000060"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#a7a8287faea913f46d12783a066857b16">OBMol::GetFirstAtom</a> () const </dt>
<dd>Will be removed in favor of more standard iterator methods </dd>
<dt><a class="anchor" id="_deprecated000089"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#af2e4cda76442b795b7e6f5d74dea0df8">OBMol::getorden</a> (OBAtom *atom)</dt>
<dd>Will no longer be a public, visible method </dd>
<dt><a class="anchor" id="_deprecated000088"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#aa8300dbbf33e0da417f98d846442e6b1">OBMol::has_no_leftover_electrons</a> (std::vector< int > &atomState)</dt>
<dd>Will no longer be a public, visible method </dd>
<dt><a class="anchor" id="_deprecated000085"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#ab74a82552a9576514b189e2a265d5f5a">OBMol::NewPerceiveKekuleBonds</a> ()</dt>
<dd>Will no longer be a public, visible method </dd>
<dt><a class="anchor" id="_deprecated000086"></a>Member <a class="el" href="classOpenBabel_1_1OBMol.shtml#a6d03ef3f811fa2c085694ccbf76051d4">OBMol::start_kekulize</a> (std::vector< OBAtom * > &cycle, std::vector< int > &electron)</dt>
<dd>Will no longer be a public, visible method </dd>
<dt><a class="anchor" id="_deprecated000046"></a>Class <a class="el" href="classOpenBabel_1_1OBProxGrid.shtml">OBProxGrid</a> </dt>
<dd>May be removed in the future, since docking is not a key feature </dd>
<dt><a class="anchor" id="_deprecated000037"></a>Member <a class="el" href="classOpenBabel_1_1OBResidueData.shtml#a61ad927515ed6a722fd90d3610759197">OBResidueData::AssignBonds</a> (OBMol &, OBBitVec &)</dt>
<dd>second OBBitVec argument is ignored </dd>
<dt><a class="anchor" id="_deprecated000036"></a>Member <a class="el" href="classOpenBabel_1_1OBResidueData.shtml#a41190815d4d7f64a08eed50e39f64122">OBResidueData::LookupBO</a> (const std::string &)</dt>
<dd>Easier to use the two-argument form </dd>
<dt><a class="anchor" id="_deprecated000065"></a>Member <a class="el" href="classOpenBabel_1_1OBRing.shtml#ab6d388ff8c4e4d4d4c37db31a36c01f4">OBRing::PathSize</a> () const </dt>
<dd>Use Size() instead </dd>
<dt><a class="anchor" id="_deprecated000067"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#abaa1b786f36fb9bc98b5c46e74425056">OBRotor::GetDelta</a> ()</dt>
<dd>Has no effect. </dd>
<dt><a class="anchor" id="_deprecated000070"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#ab690ce98b2f06352f9079eeae94da3c4">OBRotor::GetEvalAtoms</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000068"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#a937745b1178a21d8b223992d16d7d50a">OBRotor::GetFixedAtoms</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000073"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#a8feebfa38afe9888e7a50e421b8f5243">OBRotor::GetResolution</a> ()</dt>
<dd>Bad name, see GetTorsionValues() </dd>
<dt><a class="anchor" id="_deprecated000072"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#aa68d318d4f18049ca83fbbe8d1c5fa90">OBRotor::GetRotAtoms</a> ()</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000066"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#a800aee2a9873012ac7e2a1bcedd5c6ba">OBRotor::SetDelta</a> (double d)</dt>
<dd>Has no effect. </dd>
<dt><a class="anchor" id="_deprecated000071"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#a33bdb71641015f05a632ffaf76e7672a">OBRotor::SetEvalAtoms</a> (OBBitVec &bv)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000069"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#a530a0fd1a1e312d489b367ac73e56bb7">OBRotor::SetFixedAtoms</a> (OBBitVec &bv)</dt>
<dd>See SetFixedBonds </dd>
<dt><a class="anchor" id="_deprecated000074"></a>Member <a class="el" href="classOpenBabel_1_1OBRotor.shtml#a4e82f80e2cd8faf3bce17c464ab1672c">OBRotor::SetNumCoords</a> (int nc)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000077"></a>Member <a class="el" href="classOpenBabel_1_1OBRotorList.shtml#acb5c0375aa5f28091792762a5f66f23e">OBRotorList::HasFixedAtoms</a> ()</dt>
<dd>See HasFixedBonds() </dd>
<dt><a class="anchor" id="_deprecated000075"></a>Member <a class="el" href="classOpenBabel_1_1OBRotorList.shtml#af5b2891615e85e4fb9ff52d2931c6170">OBRotorList::IdentifyEvalAtoms</a> (OBMol &mol)</dt>
<dd>Not declared. Use Setup() for top-level functionality </dd>
<dt><a class="anchor" id="_deprecated000078"></a>Member <a class="el" href="classOpenBabel_1_1OBRotorList.shtml#adbf9e2936af60825abb7f7812ba8fae8">OBRotorList::IgnoreSymmetryRemoval</a> ()</dt>
<dd>Currently has no effect </dd>
<dt><a class="anchor" id="_deprecated000076"></a>Member <a class="el" href="classOpenBabel_1_1OBRotorList.shtml#aaabb93aa1f24c335405418bfa3ead95b">OBRotorList::SetFixAtoms</a> (OBBitVec &fix)</dt>
<dd>See SetFixedBonds() </dd>
<dt><a class="anchor" id="_deprecated000047"></a>Class <a class="el" href="classOpenBabel_1_1OBScoreGrid.shtml">OBScoreGrid</a> </dt>
<dd>Will disappear in future versions. Use your own code. </dd>
<dt><a class="anchor" id="_deprecated000064"></a>Member <a class="el" href="classOpenBabel_1_1OBSmartsPattern.shtml#a9aa91437a607c7d33353f38857add180">OBSmartsPattern::_growbond</a> </dt>
<dd>(Not used) </dd>
<dt><a class="anchor" id="_deprecated000084"></a>Member <a class="el" href="classOpenBabel_1_1OBTypeTable.shtml#a9c5ec7f3f42fea1f014ac3f346c7aef4">OBTypeTable::Translate</a> (char *to, const char *from)</dt>
<dd>Because there is no guarantee on the length of an atom type you should consider using std::string instead </dd>
<dt><a class="anchor" id="_deprecated000029"></a>Member <a class="el" href="namespaceOpenBabel.shtml#ac8f591b34d70fd0063b836ddf6d8cdbc">OpenBabel::CalcSignedVolume</a> (OBMol &mol, OBAtom *, bool ReZeroZ=true)</dt>
<dd>Use new <a class="el" href="group__stereo.shtml">Stereochemistry</a> classes. </dd>
<dt><a class="anchor" id="_deprecated000028"></a>Member <a class="el" href="namespaceOpenBabel.shtml#ae050b0cbe133308c07688d2438155504">OpenBabel::construct_c_matrix</a> (OBMol &mol, std::vector< std::vector< double > > &m)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000027"></a>Member <a class="el" href="namespaceOpenBabel.shtml#a49d9094d3843107b37a072e7e4597fc3">OpenBabel::construct_g_matrix</a> (OBMol &mol, std::vector< std::vector< double > > &m)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000033"></a>Member <a class="el" href="namespaceOpenBabel.shtml#abefbf418290927a56b3d124d3cc646d7">OpenBabel::CorrectChirality</a> (OBMol &mol, OBAtom *atm, atomreftype i=input, atomreftype o=output)</dt>
<dd>Use new <a class="el" href="group__stereo.shtml">Stereochemistry</a> classes. </dd>
<dt><a class="anchor" id="_deprecated000031"></a>Member <a class="el" href="namespaceOpenBabel.shtml#ad7009a91e72c28783be5346611efde3e">OpenBabel::GetChirality</a> (OBMol &mol, std::vector< int > &chirality)</dt>
<dd>Use new <a class="el" href="group__stereo.shtml">Stereochemistry</a> classes. </dd>
<dt><a class="anchor" id="_deprecated000032"></a>Member <a class="el" href="namespaceOpenBabel.shtml#a7483e613b770424c7f1ff797900b9987">OpenBabel::GetParity4Ref</a> (std::vector< unsigned int > pref)</dt>
<dd>Use new <a class="el" href="group__stereo.shtml">Stereochemistry</a> classes. </dd>
<dt><a class="anchor" id="_deprecated000026"></a>Member <a class="el" href="namespaceOpenBabel.shtml#af4c135379236431c7436651de978ef32">OpenBabel::GraphPotentials</a> (OBMol &mol, std::vector< double > &pot)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000062"></a>Member <a class="el" href="namespaceOpenBabel.shtml#a362770307f86a3b9acd494d9ccbbcf51">OpenBabel::IsNear</a> (const double &a, const double &b, const double epsilon)</dt>
<dd>Use <a class="el" href="namespaceOpenBabel.shtml#af464b3279bc3db8c58ca552ddb0e8e79">IsApprox()</a> instead </dd>
<dt><a class="anchor" id="_deprecated000063"></a>Member <a class="el" href="namespaceOpenBabel.shtml#a29e51098e105d63b04b5517299d1b772">OpenBabel::IsNearZero</a> (const double &a, const double epsilon)</dt>
<dd></dd>
<dt><a class="anchor" id="_deprecated000030"></a>Member <a class="el" href="namespaceOpenBabel.shtml#a07c3e3dff340f78121cc2c15da53cdb2">OpenBabel::signed_volume</a> (const vector3 &a, const vector3 &b, const vector3 &c, const vector3 &d)</dt>
<dd>Use new <a class="el" href="group__stereo.shtml">Stereochemistry</a> classes. </dd>
<dt><a class="anchor" id="_deprecated000091"></a>Member <a class="el" href="namespaceOpenBabel.shtml#a32ba50e0b43cb1dfdf1978d1e72099c5">OpenBabel::ThrowError</a> (char *str)</dt>
<dd>Throw an error through the <a class="el" href="classOpenBabel_1_1OBMessageHandler.shtml" title="Handle error messages, warnings, debugging information and the like.">OpenBabel::OBMessageHandler</a> class </dd>
<dt><a class="anchor" id="_deprecated000092"></a>Member <a class="el" href="namespaceOpenBabel.shtml#ac9aac27fe3b12d7201f8eb7cb95a3c57">OpenBabel::ThrowError</a> (std::string &str)</dt>
<dd>Throw an error through the <a class="el" href="classOpenBabel_1_1OBMessageHandler.shtml" title="Handle error messages, warnings, debugging information and the like.">OpenBabel::OBMessageHandler</a> class </dd>
<dt><a class="anchor" id="_deprecated000097"></a>Member <a class="el" href="namespaceOpenBabel.shtml#a00e2879019f2fb0fc689a7e5cb5d2008">OpenBabel::vectorAngle</a> (const vector3 &v1, const vector3 &v2)</dt>
<dd>This method will probably replaced by a safer algorithm in the future. </dd>
<dt><a class="anchor" id="_deprecated000093"></a>Class <a class="el" href="classOpenBabel_1_1patty.shtml">patty</a> </dt>
<dd>This code is currently not used by the Open Babel library. Instead, OBAtomTyper and OBAromaticTyper are used. Unless there is interest in retaining this independent class, it will be removed in the future. </dd>
<dt><a class="anchor" id="_deprecated000082"></a>Member <a class="el" href="classOpenBabel_1_1vector3.shtml#a54bc009d3ca567251114c2a86c7753ff">vector3::operator!=</a> (const vector3 &other) const </dt>
<dd>This method uses unreliable floating point == comparisons Use <a class="el" href="namespaceOpenBabel.shtml#af464b3279bc3db8c58ca552ddb0e8e79">vector3::IsApprox()</a> instead. </dd>
<dt><a class="anchor" id="_deprecated000081"></a>Member <a class="el" href="classOpenBabel_1_1vector3.shtml#a49ed80cbaa997a8f5b5e25ac3610db6f">vector3::operator==</a> (const vector3 &) const </dt>
<dd>This method uses unreliable floating point == comparisons Use <a class="el" href="namespaceOpenBabel.shtml#af464b3279bc3db8c58ca552ddb0e8e79">vector3::IsApprox()</a> instead. </dd>
</dl>
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