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<div class="title">matrix3x3.h File Reference</div> </div>
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<div class="textblock"><code>#include <ostream></code><br/>
<code>#include <<a class="el" href="vector3_8h_source.shtml">openbabel/math/vector3.h</a>></code><br/>
<code>#include <<a class="el" href="oberror_8h_source.shtml">openbabel/oberror.h</a>></code><br/>
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This graph shows which files directly or indirectly include this file:</div>
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<area shape="rect" id="node3" href="align_8h.shtml" title="Perform a least-squares alignment of two molecules or two vectors of vector3 objects." alt="" coords="200,83,264,112"/><area shape="rect" id="node9" href="transform3d_8h.shtml" title="Handle 3D transformations in space groups." alt="" coords="293,83,408,112"/><area shape="rect" id="node15" href="atom_8cpp.shtml" title="Handle OBAtom class." alt="" coords="432,83,517,112"/><area shape="rect" id="node17" href="builder_8cpp.shtml" title="Handle OBBuilder class." alt="" coords="541,83,635,112"/><area shape="rect" id="node19" href="chiral_8cpp.shtml" title="Detect chiral atoms and molecules." alt="" coords="659,83,744,112"/><area shape="rect" id="node21" href="forcefield_8cpp.shtml" title="Handle OBForceField class." alt="" coords="768,83,880,112"/><area shape="rect" id="node23" href="generic_8cpp.shtml" title="Handle OBGenericData classes. Custom data for atoms, bonds, etc." alt="" coords="904,83,1003,112"/><area shape="rect" id="node25" href="mol_8cpp.shtml" title="Handle molecules. Implementation of OBMol." alt="" coords="1027,83,1101,112"/><area shape="rect" id="node27" href="obutil_8cpp.shtml" title="Various utility methods." alt="" coords="1125,83,1211,112"/><area shape="rect" id="node29" href="matrix3x3_8cpp.shtml" title="Handle 3D rotation matrix." alt="" coords="1235,83,1352,112"/><area shape="rect" id="node5" href="conformersearch_8cpp.shtml" title="Conformer searching using genetic algorithm." alt="" coords="5,160,168,189"/><area shape="rect" id="node7" href="align_8cpp.shtml" title="Handle 3D coordinates." alt="" coords="192,160,272,189"/><area shape="rect" id="node11" href="spacegroup_8h.shtml" title="Handle Crystallographic Space Groups." alt="" coords="296,160,405,189"/><area shape="rect" id="node13" href="transform3d_8cpp.shtml" title="Handle 3D transformations in space groups." alt="" coords="429,160,560,189"/></map>
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<p><a href="matrix3x3_8h_source.shtml">Go to the source code of this file.</a></p>
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<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1matrix3x3.shtml">matrix3x3</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Represents a real 3x3 matrix. <a href="classOpenBabel_1_1matrix3x3.shtml#details">More...</a><br/></td></tr>
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Defines</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="matrix3x3_8h.shtml#a89e47af0449640d4f15191aba5ca24c6">RAD_TO_DEG</a>   (180.0/M_PI)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="matrix3x3_8h.shtml#a212460e743fecb084d717bb2180c5a56">DEG_TO_RAD</a>   (M_PI/180.0)</td></tr>
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Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">vector3 </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#af1a9769dcdfc9bb77a3747a3c89c3d03">center_coords</a> (double *, int)</td></tr>
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<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Handle 3D Rotation matrix. </p>
</div><hr/><h2>Define Documentation</h2>
<a class="anchor" id="a89e47af0449640d4f15191aba5ca24c6"></a><!-- doxytag: member="matrix3x3.h::RAD_TO_DEG" ref="a89e47af0449640d4f15191aba5ca24c6" args="" -->
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<td class="memname">#define RAD_TO_DEG   (180.0/M_PI)</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#abe40cdbb1abc8939273d9cde6b7b638a">OBBuilder::Connect()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#ad0cefa50ad126c06c03bad33175ce2b4">OBBuilder::GetNewBondVector()</a>, <a class="el" href="classOpenBabel_1_1OBRotamerList.shtml#afd34dcbc8bd8c0fba2433b39f1e1d61b">OBRotamerList::Setup()</a>, <a class="el" href="namespaceOpenBabel.shtml#a00e2879019f2fb0fc689a7e5cb5d2008">OpenBabel::vectorAngle()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a66aab9d4399b8502d330872181f51429">OBForceField::VectorAngle()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#afe981b8f96a737d0228fbf62c4c94417">OBForceField::VectorAngleDerivative()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#af031c62775e4d3374c0504d7af515ee0">OBForceField::VectorOOP()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4b7e7649d0928a2cb6a2123e3e4dec6f">OBForceField::VectorOOPDerivative()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5a156d1eea0507509cbb7f245999a31b">OBForceField::VectorTorsion()</a>, and <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4d4709cf0de47e7c6f44da4e21f20c9f">OBForceField::VectorTorsionDerivative()</a>.</p>
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<a class="anchor" id="a212460e743fecb084d717bb2180c5a56"></a><!-- doxytag: member="matrix3x3.h::DEG_TO_RAD" ref="a212460e743fecb084d717bb2180c5a56" args="" -->
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<td class="memname">#define DEG_TO_RAD   (M_PI/180.0)</td>
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<p>Referenced by <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#abe40cdbb1abc8939273d9cde6b7b638a">OBBuilder::Connect()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a6898b04c792072e4ace54885e9ff7b10">OBBuilder::CorrectStereoBonds()</a>, <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7b4196fee783bef9070d3d50ba91ff84">OBForceField::DistanceGeometry()</a>, <a class="el" href="classOpenBabel_1_1matrix3x3.shtml#aeae6ec0ae0d036137c03275be0010878">matrix3x3::FillOrth()</a>, <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#ad5fd16d1e3dc861db030dab03b87f4e8">OBFFConstraints::GetConstraintEnergy()</a>, <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#ad0cefa50ad126c06c03bad33175ce2b4">OBBuilder::GetNewBondVector()</a>, <a class="el" href="classOpenBabel_1_1OBRotorRules.shtml#ab7527366ed1bf39da7123e3ad65d96ad">OBRotorRules::GetRotorIncrements()</a>, <a class="el" href="namespaceOpenBabel.shtml#ae82e7b7b74e5212eada681c15afb77f4">OpenBabel::InternalToCartesian()</a>, <a class="el" href="classOpenBabel_1_1OBRotorRules.shtml#ae59fef8af62e52629bf2576e34a26801">OBRotorRules::ParseLine()</a>, <a class="el" href="classOpenBabel_1_1OBRotor.shtml#a9e776c30d29ce2b4832a9ae3dace64ea">OBRotor::RemoveSymTorsionValues()</a>, <a class="el" href="classOpenBabel_1_1OBRotorList.shtml#a22bfb3d2f1e0787b0c1aabd0f0255226">OBRotorList::RemoveSymVals()</a>, <a class="el" href="classOpenBabel_1_1matrix3x3.shtml#ae2b83cb7b73473405cd57594c88f541c">matrix3x3::RotAboutAxisByAngle()</a>, <a class="el" href="namespaceOpenBabel.shtml#a3d3039fda855c4c8c37c8345f0b51a64">OpenBabel::SetRotorToAngle()</a>, <a class="el" href="classOpenBabel_1_1matrix3x3.shtml#a99b052f9d6eaea593f20a032679bcc55">matrix3x3::SetupRotMat()</a>, and <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4d4709cf0de47e7c6f44da4e21f20c9f">OBForceField::VectorTorsionDerivative()</a>.</p>
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