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<div class="textblock"><code>#include <openbabel/babelconfig.h></code><br/>
<code>#include <<a class="el" href="base_8h_source.shtml">openbabel/base.h</a>></code><br/>
<code>#include <<a class="el" href="bitvec_8h_source.shtml">openbabel/bitvec.h</a>></code><br/>
<code>#include <vector></code><br/>
<code>#include <stack></code><br/>
<code>#include <queue></code><br/>
</div><div class="textblock"><div class="dynheader">
This graph shows which files directly or indirectly include this file:</div>
<div class="dyncontent">
<div class="center"><img src="obiter_8h__dep__incl.png" border="0" usemap="#obiter_8hdep" alt=""/></div>
<map name="obiter_8hdep" id="obiter_8hdep">
<area shape="rect" id="node3" href="mol_8h.shtml" title="Handle molecules. Declarations of OBMol, OBAtom, OBBond, OBResidue. (the main header for Open Babel)..." alt="" coords="2380,83,2438,112"/><area shape="rect" id="node9" href="depict_8cpp.shtml" title="2D depiction of molecules using OBPainter." alt="" coords="3677,237,3770,267"/><area shape="rect" id="node15" href="builder_8cpp.shtml" title="Handle OBBuilder class." alt="" coords="4224,237,4317,267"/><area shape="rect" id="node23" href="forcefield_8cpp.shtml" title="Handle OBForceField class." alt="" coords="2081,315,2193,344"/><area shape="rect" id="node42" href="obmolecformat_8cpp.shtml" title="Subclass of OBFormat for conversion of OBMol." alt="" coords="733,237,885,267"/><area shape="rect" id="node91" href="kekulize_8cpp.shtml" title="Alternate algorithm to kekulize a molecule (OBMol::NewPerceiveKekuleBonds())." alt="" coords="4372,160,4476,189"/><area shape="rect" id="node98" href="obiter_8cpp.shtml" title="STL-style iterators for Open Babel." alt="" coords="4500,160,4588,189"/><area shape="rect" id="node117" href="RDKitConv_8h.shtml" title="Allow conversion from OBMol to RDKit RWMol." alt="" coords="4612,160,4718,189"/><area shape="rect" id="node5" href="alias_8h.shtml" title="OBGenericData class to for atom alias data (e.g., in 2D drawing programs for "COOH")" alt="" coords="3718,160,3780,189"/><area shape="rect" id="node7" href="generic_8cpp.shtml" title="Handle OBGenericData classes. Custom data for atoms, bonds, etc." alt="" coords="2394,237,2493,267"/><area shape="rect" id="node11" href="builder_8h.shtml" title="Class to build 3D structures." alt="" coords="4118,160,4196,189"/><area shape="rect" id="node13" href="atom_8cpp.shtml" title="Handle OBAtom class." alt="" coords="4114,237,4200,267"/><area shape="rect" id="node17" href="mol_8cpp.shtml" title="Handle molecules. Implementation of OBMol." alt="" coords="4016,237,4090,267"/><area shape="rect" id="node19" href="conformersearch_8h.shtml" title="Conformer searching using genetic algorithm." alt="" coords="3794,237,3941,267"/><area shape="rect" id="node21" href="forcefield_8h.shtml" title="Handle forcefields." alt="" coords="249,237,345,267"/><area shape="rect" id="node25" href="grid_8h.shtml" title="Handle grids of values." alt="" coords="97,160,156,189"/><area shape="rect" id="node28" href="grid_8cpp.shtml" title="Handle grids of values." alt="" coords="22,237,97,267"/><area shape="rect" id="node30" href="griddata_8cpp.shtml" title="OBGenericData class to connect numeric grids (e.g., orbitals, electrostatic potential) to molecules..." alt="" coords="121,237,225,267"/><area shape="rect" id="node32" href="groupcontrib_8h.shtml" title="Handle group contribution algorithms." alt="" coords="458,237,576,267"/><area shape="rect" id="node34" href="isomorphism_8h.shtml" title="OBIsomorphismMapper class for finding isomorphisms." alt="" coords="332,160,449,189"/><area shape="rect" id="node36" href="align_8h.shtml" title="Perform a least-squares alignment of two molecules or two vectors of vector3 objects." alt="" coords="369,237,433,267"/><area shape="rect" id="node38" href="obmolecformat_8h.shtml" title="Subclass of OBFormat for conversion of OBMol." alt="" coords="742,160,878,189"/><area shape="rect" id="node40" href="xml_8h.shtml" title="Declaration of XMLConversion, declaration and definition of XMLBaseFormat and XMLMoleculeFormat." alt="" coords="990,237,1049,267"/><area shape="rect" id="node44" href="optransform_8h.shtml" title="Operations to change molecules using a datafile of chemical transformations OBChemTsfm." alt="" coords="902,160,1017,189"/><area shape="rect" id="node46" href="parsmart_8h.shtml" title="Daylight SMARTS parser." alt="" coords="524,160,617,189"/><area shape="rect" id="node49" href="parsmart_8cpp.shtml" title="Implementation of Daylight SMARTS parser." alt="" coords="600,237,709,267"/><area shape="rect" id="node51" href="pointgroup_8h.shtml" title="Brute-force point group detection." alt="" coords="1092,160,1196,189"/><area shape="rect" id="node53" href="pointgroup_8cpp.shtml" title="Brute-force point group detection." alt="" coords="1118,237,1238,267"/><area shape="rect" id="node55" href="query_8h.shtml" title="OBQuery, OBQueryAtom & OBQueryBond classes." alt="" coords="1321,160,1390,189"/><area shape="rect" id="node57" href="reaction_8h.shtml" title="Handle chemical reactions (i.e., lists of reagents and products)." alt="" coords="1414,160,1505,189"/><area shape="rect" id="node59" href="rotamer_8h.shtml" title="Handle rotamer list data." alt="" coords="3956,160,4044,189"/><area shape="rect" id="node65" href="spectrophore_8h.shtml" title="Class to compute Spectrophores&tm;." alt="" coords="1529,160,1652,189"/><area shape="rect" id="node70" href="bond_8cpp.shtml" title="Handle OBBond class." alt="" coords="1676,160,1758,189"/><area shape="rect" id="node72" href="bondtyper_8cpp.shtml" title="Bond typer to perceive connectivity and bond orders/types." alt="" coords="1782,160,1900,189"/><area shape="rect" id="node75" href="canon_8cpp.shtml" title="Canonical numbering of SMILES, molecules and fragments." alt="" coords="1924,160,2014,189"/><area shape="rect" id="node77" href="chains_8cpp.shtml" title="Parse for macromolecule chains and residues." alt="" coords="2038,160,2129,189"/><area shape="rect" id="node79" href="chargemodel_8cpp.shtml" title="Base class for molecular partial charge models." alt="" coords="2153,160,2289,189"/><area shape="rect" id="node81" href="chiral_8cpp.shtml" title="Detect chiral atoms and molecules." alt="" coords="2313,160,2398,189"/><area shape="rect" id="node83" href="data_8cpp.shtml" title="Global data and resource file parsers." alt="" coords="2422,160,2502,189"/><area shape="rect" id="node87" href="graphsym_8cpp.shtml" title="Handle and perceive graph symmtery for canonical numbering." alt="" coords="2526,160,2641,189"/><area shape="rect" id="node93" href="mcdlutil_8cpp.shtml" title="2D molecule coordinate generation." alt="" coords="2665,160,2766,189"/><area shape="rect" id="node96" href="molchrg_8cpp.shtml" title="Assign Gasteiger partial charges." alt="" coords="2790,160,2892,189"/><area shape="rect" id="node100" href="obutil_8cpp.shtml" title="Various utility methods." alt="" coords="2916,160,3001,189"/><area shape="rect" id="node103" href="patty_8cpp.shtml" title="Programmable atom typer." alt="" coords="3025,160,3110,189"/><area shape="rect" id="node105" href="phmodel_8cpp.shtml" title="Read pH rules and assign charges." alt="" coords="3134,160,3241,189"/><area shape="rect" id="node108" href="ring_8cpp.shtml" title="Deal with rings, find smallest set of smallest rings (SSSR)." alt="" coords="3265,160,3340,189"/><area shape="rect" id="node110" href="rotor_8cpp.shtml" title="Rotate dihedral angles according to rotor rules." alt="" 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</div>
</div>
<p><a href="obiter_8h_source.shtml">Go to the source code of this file.</a></p>
<table class="memberdecls">
<tr><td colspan="2"><h2><a name="nested-classes"></a>
Classes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolAtomIter.shtml">OBMolAtomIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>. <a href="classOpenBabel_1_1OBMolAtomIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolAtomDFSIter.shtml">OBMolAtomDFSIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> in a depth-first search (DFS) <a href="classOpenBabel_1_1OBMolAtomDFSIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolAtomBFSIter.shtml">OBMolAtomBFSIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> in a breadth-first search (BFS) <a href="classOpenBabel_1_1OBMolAtomBFSIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolBondBFSIter.shtml">OBMolBondBFSIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all bonds in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> in a breadth-first search (BFS) <a href="classOpenBabel_1_1OBMolBondBFSIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolBondIter.shtml">OBMolBondIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all bonds in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>. <a href="classOpenBabel_1_1OBMolBondIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBAtomAtomIter.shtml">OBAtomAtomIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all neighboring atoms to an <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a>. <a href="classOpenBabel_1_1OBAtomAtomIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBAtomBondIter.shtml">OBAtomBondIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all bonds on an <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a>. <a href="classOpenBabel_1_1OBAtomBondIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBResidueIter.shtml">OBResidueIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all residues in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>. <a href="classOpenBabel_1_1OBResidueIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBResidueAtomIter.shtml">OBResidueAtomIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all atoms in an <a class="el" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a>. <a href="classOpenBabel_1_1OBResidueAtomIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolAngleIter.shtml">OBMolAngleIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all angles in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>. <a href="classOpenBabel_1_1OBMolAngleIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolTorsionIter.shtml">OBMolTorsionIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all torsions in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>. <a href="classOpenBabel_1_1OBMolTorsionIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolPairIter.shtml">OBMolPairIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all pairs of atoms (>1-4) in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>. <a href="classOpenBabel_1_1OBMolPairIter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBMolRingIter.shtml">OBMolRingIter</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Iterate over all rings in an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>. <a href="classOpenBabel_1_1OBMolRingIter.shtml#details">More...</a><br/></td></tr>
<tr><td colspan="2"><h2><a name="namespaces"></a>
Namespaces</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">namespace  </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a></td></tr>
<tr><td colspan="2"><h2><a name="define-members"></a>
Defines</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#afb051cb17b46d381998c24fc41db2a79">FOR_ATOMS_OF_MOL</a>(a, m)   for( OBMolAtomIter a(m); a; ++a )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a16c0f68c4f2d476fae98338b31e77e46">FOR_BONDS_OF_MOL</a>(b, m)   for( OBMolBondIter b(m); b; ++b )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a18326b3c74bff171f5807ce9725e0c47">FOR_NBORS_OF_ATOM</a>(a, p)   for( OBAtomAtomIter a(p); a; ++a )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#aa102b7f8200028ba654f022dc63fdf35">FOR_BONDS_OF_ATOM</a>(b, p)   for( OBAtomBondIter b(p); b; ++b )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a483bbcfb9673a775c47ab6adf8e53451">FOR_RESIDUES_OF_MOL</a>(r, m)   for( OBResidueIter r(m); r; ++r )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#aa4f83897733e3f3a1fb1ff9a1a85db1f">FOR_ATOMS_OF_RESIDUE</a>(a, r)   for( OBResidueAtomIter a(r); a; ++a )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a15820464f7b1f60c2d343932d5eda8cd">FOR_DFS_OF_MOL</a>(a, m)   for( OBMolAtomDFSIter a(m); a; ++a )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a7c427f32f67339fb215933423bace3e4">FOR_BFS_OF_MOL</a>(a, m)   for( OBMolAtomBFSIter a(m); a; ++a )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a4cccdc28607ea86191978c1473f09a40">FOR_BONDBFS_OF_MOL</a>(b, m)   for( OBMolBondBFSIter b(m); b; ++b )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a9205e106e30c7af1cafcca57d52c7692">FOR_RINGS_OF_MOL</a>(r, m)   for( OBMolRingIter r(m); r; ++r )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a1fc0ae63791285f6155fa53658c2e4ae">FOR_ANGLES_OF_MOL</a>(a, m)   for( OBMolAngleIter a(m); a; ++a )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#aee758b2fef3dcacb197e41b5819d7465">FOR_TORSIONS_OF_MOL</a>(t, m)   for( OBMolTorsionIter t(m); t; ++t )</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="obiter_8h.shtml#a640062d330b1455694059113b560a4aa">FOR_PAIRS_OF_MOL</a>(p, m)   for( OBMolPairIter p(m); p; ++p )</td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>STL-style iterators for Open Babel. </p>
</div><hr/><h2>Define Documentation</h2>
<a class="anchor" id="afb051cb17b46d381998c24fc41db2a79"></a><!-- doxytag: member="obiter.h::FOR_ATOMS_OF_MOL" ref="afb051cb17b46d381998c24fc41db2a79" args="(a, m)" -->
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<td class="memname">#define FOR_ATOMS_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">a, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBMolAtomIter a(m); a; ++a )</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#af20dd57788f4898cd7377dffe63986fc">OBBuilder::Build()</a>, <a class="el" href="namespaceOpenBabel.shtml#a62d602f9ffb93ae1f37c2d3bbf010d77">OpenBabel::CanonicalLabels()</a>, <a class="el" href="namespaceOpenBabel.shtml#abfb2d29563ee1a81f2e70a51d55c83cf">OpenBabel::CompileAutomorphismQuery()</a>, <a class="el" href="group__substructure.shtml#ga9307ec0c55a4d2b7ee933b53a3a84ce5">OpenBabel::CompileMoleculeQuery()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7e253a1997cddeb4fd5eaa79e6e42610">OBForceField::ConjugateGradientsInitialize()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#aef9f033a26aaedb027c2a99de04a9646">OBForceField::ConjugateGradientsTakeNSteps()</a>, <a class="el" href="classOpenBabel_1_1OBAtomTyper.shtml#a0d8f018cbaaa9d313b45e468f77afea2">OBAtomTyper::CorrectAromaticNitrogens()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a8c466035b972dddd7f5ebd27f04f685b">OBForceField::CorrectVelocities()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a0d97557b9f37191cce473fbfd4636a54">OBForceField::DetectExplosion()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7b4196fee783bef9070d3d50ba91ff84">OBForceField::DistanceGeometry()</a>, <a class="el" href="classOpenBabel_1_1OBUnitCell.shtml#af5cee9c530db13a5ec558a3783893315">OBUnitCell::FillUnitCell()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#abee51ea4be988357bb17c4e5fd3d7e12">OBMol::FindAngles()</a>, <a class="el" href="namespaceOpenBabel.shtml#a0e9fff5044095331af29c5b0781557c4">OpenBabel::findMetalloceneBonds()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ae9f7de4324a4a476ca0663772c1a6bfa">OBForceField::GenerateVelocities()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa41fd7cce6a9cf2e56ca603de7fbc507">OBForceField::GetAtomTypes()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a8be38bcae14834b6849d777e19885955">OBForceField::GetCoordinates()</a>, <a class="el" href="classOpenBabel_1_1OBChargeModel.shtml#a9b1ae06b444f49a68b2e2c8ac9a0c534">OBChargeModel::GetDipoleMoment()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5f7ae482e5f2e4f4bda8fc6b6156f2a9">OBForceField::GetGrid()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a06280807851159ac893d3391400861d3">OBForceField::GetPartialCharges()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a997bc4b84a93d285f63efa60cbb8ee8d">OBMol::GetSpacedFormula()</a>, <a class="el" href="namespaceOpenBabel.shtml#a67f559671aa9d68ce3888baab8f7fc1a">OpenBabel::has_leftover_electrons()</a>, <a class="el" href="namespaceOpenBabel.shtml#ae82e7b7b74e5212eada681c15afb77f4">OpenBabel::InternalToCartesian()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a638c3bbd2aff3edd2b372fd087ccf99d">OBForceField::IsSetupNeeded()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a52ae121410bc166d73eb4200f6127842">OBForceField::MolecularDynamicsTakeNSteps()</a>, <a class="el" href="classOpenBabel_1_1OBGraphSym.shtml#ab2b78319f588bac47323cfd3aaca8c7c">OBGraphSym::OBGraphSym()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a9d63c24cbe9dc1f6e82d58da2b67dafa">OBMol::operator=()</a>, <a class="el" href="classOpenBabel_1_1OBChainsParser.shtml#ab4077f1ebf77386df177be76a63b6b10">OBChainsParser::PerceiveChains()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a95220f9d1cc8cb66548a504c451094c0">OBForceField::PrintFormalCharges()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a12dc30d677cadcf672458a5b60460559">OBForceField::PrintPartialCharges()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5aade506ba2985dc08c1368c01f45b63">OBForceField::PrintTypes()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad022f259b6d08561e0c609fdc8484a6a">OBForceField::PrintVelocities()</a>, <a class="el" href="classOpenBabel_1_1AliasData.shtml#ac14285658929bd5af45a1560cb1ec15b">AliasData::RevertToAliasForm()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac271a3bf117a79400817b696d11ea4a7">OBForceField::SetConformers()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a06b2f4ac9f082f41da3ae01d4bb3f1cc">OBForceField::SetCoordinates()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab2cea937bb0224112a6f79758a099932">OBForceField::SteepestDescentTakeNSteps()</a>, and <a class="el" href="classOpenBabel_1_1OBAlign.shtml#a3748ab33ffd81acda5060963bdae971a">OBAlign::UpdateCoords()</a>.</p>
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<a class="anchor" id="a16c0f68c4f2d476fae98338b31e77e46"></a><!-- doxytag: member="obiter.h::FOR_BONDS_OF_MOL" ref="a16c0f68c4f2d476fae98338b31e77e46" args="(b, m)" -->
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<td class="memname">#define FOR_BONDS_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">b, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td>)</td>
<td></td><td>   for( OBMolBondIter b(m); b; ++b )</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#af20dd57788f4898cd7377dffe63986fc">OBBuilder::Build()</a>, <a class="el" href="namespaceOpenBabel.shtml#a62d602f9ffb93ae1f37c2d3bbf010d77">OpenBabel::CanonicalLabels()</a>, <a class="el" href="namespaceOpenBabel.shtml#abfb2d29563ee1a81f2e70a51d55c83cf">OpenBabel::CompileAutomorphismQuery()</a>, <a class="el" href="group__substructure.shtml#ga9307ec0c55a4d2b7ee933b53a3a84ce5">OpenBabel::CompileMoleculeQuery()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a0d97557b9f37191cce473fbfd4636a54">OBForceField::DetectExplosion()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad711b0ce04370b50be246e7b859d1f99">OBMol::GetNextFragment()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a638c3bbd2aff3edd2b372fd087ccf99d">OBForceField::IsSetupNeeded()</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml#ab74a82552a9576514b189e2a265d5f5a">OBMol::NewPerceiveKekuleBonds()</a>.</p>
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<a class="anchor" id="a18326b3c74bff171f5807ce9725e0c47"></a><!-- doxytag: member="obiter.h::FOR_NBORS_OF_ATOM" ref="a18326b3c74bff171f5807ce9725e0c47" args="(a, p)" -->
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<td class="memname">#define FOR_NBORS_OF_ATOM</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">a, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">p </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBAtomAtomIter a(p); a; ++a )</td>
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<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#a723b609c4e82a3b0ae91f4aa44196740">OpenBabel::addNbrs()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a26e58d067cc3985a84fbf5cfa031947d">OBBuilder::AddNbrs()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#af20dd57788f4898cd7377dffe63986fc">OBBuilder::Build()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#abe40cdbb1abc8939273d9cde6b7b638a">OBBuilder::Connect()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7b4196fee783bef9070d3d50ba91ff84">OBForceField::DistanceGeometry()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#abee51ea4be988357bb17c4e5fd3d7e12">OBMol::FindAngles()</a>, <a class="el" href="namespaceOpenBabel.shtml#a0e9fff5044095331af29c5b0781557c4">OpenBabel::findMetalloceneBonds()</a>, <a class="el" href="namespaceOpenBabel.shtml#a0e3ffef22e9d0e3a960e1ddc3c7a3af0">OpenBabel::getFragment()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#ad0cefa50ad126c06c03bad33175ce2b4">OBBuilder::GetNewBondVector()</a>, and <a class="el" href="classOpenBabel_1_1OBChainsParser.shtml#ab4077f1ebf77386df177be76a63b6b10">OBChainsParser::PerceiveChains()</a>.</p>
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<a class="anchor" id="aa102b7f8200028ba654f022dc63fdf35"></a><!-- doxytag: member="obiter.h::FOR_BONDS_OF_ATOM" ref="aa102b7f8200028ba654f022dc63fdf35" args="(b, p)" -->
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<td class="memname">#define FOR_BONDS_OF_ATOM</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">b, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">p </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBAtomBondIter b(p); b; ++b )</td>
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<p>Referenced by <a class="el" href="namespaceOpenBabel.shtml#a62d602f9ffb93ae1f37c2d3bbf010d77">OpenBabel::CanonicalLabels()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a568e42fdfa07962a14761bb9875ee138">OBBuilder::CorrectStereoAtoms()</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml#ae12d082d7bc7adb2e9fd621adf27ccb6">OBMol::FindChildren()</a>, <a class="el" href="namespaceOpenBabel.shtml#adbf96b6f2307d00a5f525ecc3a4c5bca">OpenBabel::get_bonds_of_ring()</a>, <a class="el" href="namespaceOpenBabel.shtml#a07faa5acbed4a3cbbfd0d711321c0439">OpenBabel::has_leftover_electrons()</a>, and <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a7baa4d72adf170defdf09a225b3edf57">OBBuilder::IsSpiroAtom()</a>.</p>
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<a class="anchor" id="a483bbcfb9673a775c47ab6adf8e53451"></a><!-- doxytag: member="obiter.h::FOR_RESIDUES_OF_MOL" ref="a483bbcfb9673a775c47ab6adf8e53451" args="(r, m)" -->
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<td class="memname">#define FOR_RESIDUES_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">r, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBResidueIter r(m); r; ++r )</td>
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<a class="anchor" id="aa4f83897733e3f3a1fb1ff9a1a85db1f"></a><!-- doxytag: member="obiter.h::FOR_ATOMS_OF_RESIDUE" ref="aa4f83897733e3f3a1fb1ff9a1a85db1f" args="(a, r)" -->
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<td class="memname">#define FOR_ATOMS_OF_RESIDUE</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">a, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">r </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBResidueAtomIter a(r); a; ++a )</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBMol.shtml#a3f9d2bbe4ae3f85ddca39be0a8ff4971">OBMol::operator+=()</a>.</p>
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<a class="anchor" id="a15820464f7b1f60c2d343932d5eda8cd"></a><!-- doxytag: member="obiter.h::FOR_DFS_OF_MOL" ref="a15820464f7b1f60c2d343932d5eda8cd" args="(a, m)" -->
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<td class="memname">#define FOR_DFS_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">a, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBMolAtomDFSIter a(m); a; ++a )</td>
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<div class="memdoc">
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#af20dd57788f4898cd7377dffe63986fc">OBBuilder::Build()</a>.</p>
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<a class="anchor" id="a7c427f32f67339fb215933423bace3e4"></a><!-- doxytag: member="obiter.h::FOR_BFS_OF_MOL" ref="a7c427f32f67339fb215933423bace3e4" args="(a, m)" -->
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<td class="memname">#define FOR_BFS_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">a, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBMolAtomBFSIter a(m); a; ++a )</td>
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<a class="anchor" id="a4cccdc28607ea86191978c1473f09a40"></a><!-- doxytag: member="obiter.h::FOR_BONDBFS_OF_MOL" ref="a4cccdc28607ea86191978c1473f09a40" args="(b, m)" -->
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<td class="memname">#define FOR_BONDBFS_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">b, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBMolBondBFSIter b(m); b; ++b )</td>
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<a class="anchor" id="a9205e106e30c7af1cafcca57d52c7692"></a><!-- doxytag: member="obiter.h::FOR_RINGS_OF_MOL" ref="a9205e106e30c7af1cafcca57d52c7692" args="(r, m)" -->
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<td class="memname">#define FOR_RINGS_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">r, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td></td>
<td>)</td>
<td></td><td>   for( OBMolRingIter r(m); r; ++r )</td>
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<a class="anchor" id="a1fc0ae63791285f6155fa53658c2e4ae"></a><!-- doxytag: member="obiter.h::FOR_ANGLES_OF_MOL" ref="a1fc0ae63791285f6155fa53658c2e4ae" args="(a, m)" -->
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<td class="memname">#define FOR_ANGLES_OF_MOL</td>
<td>(</td>
<td class="paramtype"> </td>
<td class="paramname">a, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"> </td>
<td class="paramname">m </td>
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<td>)</td>
<td></td><td>   for( OBMolAngleIter a(m); a; ++a )</td>
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<a class="anchor" id="aee758b2fef3dcacb197e41b5819d7465"></a><!-- doxytag: member="obiter.h::FOR_TORSIONS_OF_MOL" ref="aee758b2fef3dcacb197e41b5819d7465" args="(t, m)" -->
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<td class="memname">#define FOR_TORSIONS_OF_MOL</td>
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<td></td><td>   for( OBMolTorsionIter t(m); t; ++t )</td>
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<a class="anchor" id="a640062d330b1455694059113b560a4aa"></a><!-- doxytag: member="obiter.h::FOR_PAIRS_OF_MOL" ref="a640062d330b1455694059113b560a4aa" args="(p, m)" -->
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<td class="memname">#define FOR_PAIRS_OF_MOL</td>
<td>(</td>
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<td></td><td>   for( OBMolPairIter p(m); p; ++p )</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa1d27b0f4f43d58d416528cd24215307">OBForceField::GetNumPairs()</a>, and <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7bc49547f1ea2ebf09864495d324fe67">OBForceField::UpdatePairsSimple()</a>.</p>
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