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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
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      <li class="navelem"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a>      </li>
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<div class="title">OBGridData Member List</div>  </div>
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This is the complete list of members for <a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a>, including all inherited members.<table>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#adceb77134f15418a66cf1124dcef1b51">_attr</a></td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a239606b62a534e4df7626ea0cfdfb856">_source</a></td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a31291823d487a4a47f24aae5870505ef">_type</a></td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#abceb2331ad056e3c5ad27894199a49edac0ff23bb2caec4483def76b5ac62f0ad">ANGSTROM</a> enum value</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#abceb2331ad056e3c5ad27894199a49eda1ed8947227c706dcf6ce20f2dabecbb0">BOHR</a> enum value</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a67bda850335747e7ac5d66629bda0a67">Clone</a>(OBBase *) const </td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac72c28db8b5bb8911845ada56220a1e0">GetAttribute</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a8f99a95e113289b791979a0949ebff51">GetAxes</a>(double x[3], double y[3], double z[3]) const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a039b9b89c60f700b720e1ecb705c31df">GetAxes</a>(vector3 &amp;v1, vector3 &amp;v2, vector3 &amp;v3) const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac20b99b31895c99422fb1244def6e213">GetDataType</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#ae986e6ee03886af15440c86a780eb854">GetMaxValue</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a6451a826110b46a7cbf8b3b2d69adfed">GetMaxVector</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a96de6cade8fdffe8a36cb68f9958284d">GetMinValue</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a5b11216aacdb5a5d6c827ae33a0948d8">GetNumberOfPoints</a>(int &amp;nx, int &amp;ny, int &amp;nz) const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#ac9c8dab0c9b1ff40b9a62ae274284ca2">GetNumberOfPoints</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a22d3c24ecf14a00aeee444b63e57ca67">GetNumberOfSteps</a>(int steps[3]) const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a51394d46f39c8aaa712c10c32e4200f9">GetNumSymmetries</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ad080c58f230c474935ed3e27cb2ba906">GetOrigin</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#afd1372eb23d785e07609b4ee1558ea96">GetOriginVector</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a49001a7fa2061cbf41d8ec868a895f92">GetOriginVector</a>(double o[3]) const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a425800b2d3fa62addcdcd18ad09b3d06">GetUnit</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#ac8ee105dfe7a85ecb276eda28b6b7d9a">GetUnrestricted</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#ac7d6b0a20315fa1a88926cb31ce96b63">GetValue</a>(int i, int j, int k) const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#ada9d79c923a5ed1b0edd0571f80c7537">GetValue</a>(vector3 pos) const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac9527475c246fadbbab63a35376fd5fe">OpenBabel::OBGenericData::GetValue</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a9b5e89e70ca1fe3e99d802c0e020dd07">GetValues</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a664e46425ebb4de07d1d3d44eced9fd7">GetXAxis</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#af7bce82f6dfeb2b4f04f243e23e74dca">GetYAxis</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a299ca4b8330c823e4c771888b09ac5ea">GetZAxis</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#ac1d123c6ea761d25e7b4066501eb3652">OBGenericData</a>(const std::string attr=&quot;undefined&quot;, const unsigned int type=OBGenericDataType::UndefinedData, const DataOrigin source=any)</td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a3759224f5030c8385542bcb899465b6e">OBGridData</a>()</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#abceb2331ad056e3c5ad27894199a49edadbf1dee1b8cd7ea3c82661943c7b74f4">OTHER</a> enum value</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#aae3d15983201a2a115701b2c538fef77">SetAttribute</a>(const std::string &amp;v)</td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a0b9fb0de3277dd55625e632bc4f0ab5b">SetLimits</a>(const vector3 &amp;origin, const vector3 &amp;x, const vector3 &amp;y, const vector3 &amp;z)</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a009627e179cde33c9c0150d6a06214fd">SetLimits</a>(const double origin[3], const double x[3], const double y[3], const double z[3])</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a8e057288f32449cbd79175447a8eec49">SetNumberOfPoints</a>(int nx, int ny, int nz)</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a6fc7e124f35cd07bffc7a9acb2c6f294">SetNumSymmetries</a>(int s)</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#a45613e34598a9584fb0120ef3fdab9e0">SetOrigin</a>(const DataOrigin s)</td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a29b2f36979b70af2f1793b4754e6d4b4">SetUnit</a>(Unit u)</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#ad4c371035d64f046b9728f27fbe48678">SetUnrestricted</a>(bool u)</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a8e87e5ca8491e61def25764da4fdb46d">SetValue</a>(int i, int j, int k, double val)</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a3384333ba39252b46f5189ca43baa2d1">SetValues</a>(const std::vector&lt; double &gt; &amp;v)</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#abceb2331ad056e3c5ad27894199a49ed">Unit</a> enum name</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml#acb834533508953a264ed93b74fddad8d">~OBGenericData</a>()</td><td><a class="el" href="classOpenBabel_1_1OBGenericData.shtml">OBGenericData</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml#a7f927f99da289ae1cb3f9da64ee9d429">~OBGridData</a>()</td><td><a class="el" href="classOpenBabel_1_1OBGridData.shtml">OBGridData</a></td><td></td></tr>
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