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<title>The Gnome Chemistry Utils: gcp::Bond Class Reference</title>
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<h1>gcp::Bond Class Reference</h1><!-- doxytag: class="gcp::Bond" --><!-- doxytag: inherits="gcu::Bond" -->
<p><code>#include <<a class="el" href="gcp_2bond_8h_source.html">gcp/bond.h</a>></code></p>
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Inheritance diagram for gcp::Bond:</div>
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<img src="classgcp_1_1Bond.gif" usemap="#gcp::Bond_map" alt=""/>
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<area href="classgcu_1_1Bond.html" alt="gcu::Bond" shape="rect" coords="0,56,76,80"/>
<area href="classgcu_1_1Object.html" alt="gcu::Object" shape="rect" coords="0,0,76,24"/>
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<p><a href="classgcp_1_1Bond-members.html">List of all members.</a></p>
<table border="0" cellpadding="0" cellspacing="0">
<tr><td colspan="2"><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a0b5206ff8f0460a8881156958cd1faa7">Bond</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a4b9e0e73e2818b5ba8e20d0e39f2d4d9">Bond</a> (<a class="el" href="classgcp_1_1Atom.html">Atom</a> *first, <a class="el" href="classgcp_1_1Atom.html">Atom</a> *last, unsigned char order)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a2414adeb5456d1620b9165e5e0081f1c">~Bond</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">Object * </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#aeb666e701cc6b08929c4d37698062161">GetAtomAt</a> (double x, double y, double z=0.)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="namespacegcp.html#a3dd632d842a1f4886aa7e3da3c02e40c">BondType</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#ac8f185d40a67c904d91e2b49f4119138">GetType</a> () const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a78e1b780b0415610518592480f5b74e9">SetType</a> (<a class="el" href="namespacegcp.html#a3dd632d842a1f4886aa7e3da3c02e40c">BondType</a> type)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a13a2b2cb30550ee227fee9682f3e63fc">GetAngle2D</a> (<a class="el" href="classgcp_1_1Atom.html">Atom</a> *pAtom)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a9b00148dde947306ca0c97daf7c84b03">AddCycle</a> (<a class="el" href="classgcu_1_1Cycle.html">gcu::Cycle</a> *pCycle)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#aac38d7757df34e9e07c4bd91c9564855">RemoveCycle</a> (<a class="el" href="classgcu_1_1Cycle.html">gcu::Cycle</a> *pCycle)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#ae46d9c3524f1a8a4fb4910ff9c8df0dc">RemoveAllCycles</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a3c468ba06b3a8035ecd2e66d90f39975">GetLine2DCoords</a> (unsigned Num, double *x1, double *y1, double *x2, double *y2)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">virtual bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#ace12bb96a952939c5e4adc12c17afc48">SaveNode</a> (xmlDocPtr xml, xmlNodePtr node) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#add00d30f47a4b609a7e77472fa89b2bc">LoadNode</a> (xmlNodePtr node)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a997bcbb9d07e7bda482adb6742416ceb">Update</a> (GtkWidget *w) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#afda351941282758411c86c72bf176e01">Move</a> (double x, double y, double z=0)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#abe79a5330eb9a97a9a7425a69cc241f3">Transform2D</a> (<a class="el" href="classgcu_1_1Matrix2D.html">gcu::Matrix2D</a> &m, double x, double y)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a1bce56bdceb5017c5eeb9d3f39d97da1">GetDist</a> (double x, double y)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#adda6a5448d3c42fb37c2ff649da50b02">SetDirty</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a2c5a32cd92585b99de4e12ebf31f493d">Revert</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a8b46a23538a24eb02b8e726d5565536b">IncOrder</a> (int n=1)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a77121d6a8790f8afa4a4921f7c9b64da">SetSelected</a> (GtkWidget *w, int state)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#affe0ce78c9fd254ee109623ce36aeef6">Add</a> (GtkWidget *w) const </td></tr>
<tr><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#ab4481b07aa857a7f14947507b21b84a5">GetYAlign</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#ab37a451cd765d4e6e846e7e6d562abde">IsCrossing</a> (<a class="el" href="classgcp_1_1Bond.html">Bond</a> *pBond)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#ac5d424632dbc4a09c9458ef0aeb0fbd7">BuildContextualMenu</a> (GtkUIManager *UIManager, Object *object, double x, double y)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#ac115c3de279940d5b68d497d22c45cc4">MoveToBack</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a767961d5e488f0dd70ddf60d1667b0b1">BringToFront</a> ()</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classgcp_1_1Bond.html#a42351189a42ff109ba72cffb68741431">SetProperty</a> (unsigned property, char const *value)</td></tr>
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<hr/><a name="_details"></a><h2>Detailed Description</h2>
<p>This class is used to represent bonds. </p>
<p>Definition at line <a class="el" href="gcp_2bond_8h_source.html#l00073">73</a> of file <a class="el" href="gcp_2bond_8h_source.html">gcp/bond.h</a>.</p>
<hr/><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" id="a0b5206ff8f0460a8881156958cd1faa7"></a><!-- doxytag: member="gcp::Bond::Bond" ref="a0b5206ff8f0460a8881156958cd1faa7" args="()" -->
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<td class="memname">gcp::Bond::Bond </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
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<p>The default constructor. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#aa4f971822cec7ebc2dd740a4edd7ea00">gcu::Bond</a>.</p>
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<a class="anchor" id="a4b9e0e73e2818b5ba8e20d0e39f2d4d9"></a><!-- doxytag: member="gcp::Bond::Bond" ref="a4b9e0e73e2818b5ba8e20d0e39f2d4d9" args="(Atom *first, Atom *last, unsigned char order)" -->
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<td class="memname">gcp::Bond::Bond </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcp_1_1Atom.html">Atom</a> * </td>
<td class="paramname"> <em>first</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classgcp_1_1Atom.html">Atom</a> * </td>
<td class="paramname"> <em>last</em>, </td>
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<td class="paramtype">unsigned char </td>
<td class="paramname"> <em>order</em></td><td> </td>
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<td>)</td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>first</em> </td><td>the first bonded atom. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>last</em> </td><td>the last bonded atom. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>order</em> </td><td>the bond order</td></tr>
</table>
</dd>
</dl>
<p>Constructs a bond given its two terminal atoms and its order. </p>
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<a class="anchor" id="a2414adeb5456d1620b9165e5e0081f1c"></a><!-- doxytag: member="gcp::Bond::~Bond" ref="a2414adeb5456d1620b9165e5e0081f1c" args="()" -->
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<td class="memname">virtual gcp::Bond::~Bond </td>
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<td class="paramname"></td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<p>The destructor. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a42e68562f9ed5db56e2248f5cfa570f0">gcu::Bond</a>.</p>
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<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="affe0ce78c9fd254ee109623ce36aeef6"></a><!-- doxytag: member="gcp::Bond::Add" ref="affe0ce78c9fd254ee109623ce36aeef6" args="(GtkWidget *w) const " -->
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<td class="memname">void gcp::Bond::Add </td>
<td>(</td>
<td class="paramtype">GtkWidget * </td>
<td class="paramname"> <em>w</em></td>
<td> ) </td>
<td> const<code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>w</em> </td><td>the GtkWidget inside which the bond will be displayed.</td></tr>
</table>
</dd>
</dl>
<p>Used to add a representation of the bond in the widget. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#afcd1e6f8bc15be563bd33429757d9d21">gcu::Object</a>.</p>
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<a class="anchor" id="a9b00148dde947306ca0c97daf7c84b03"></a><!-- doxytag: member="gcp::Bond::AddCycle" ref="a9b00148dde947306ca0c97daf7c84b03" args="(gcu::Cycle *pCycle)" -->
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<td class="memname">void gcp::Bond::AddCycle </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Cycle.html">gcu::Cycle</a> * </td>
<td class="paramname"> <em>pCycle</em></td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pCycle</em> </td><td>a cycle containing the bond.</td></tr>
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</dd>
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<p>Notifies the bond it is in the cycle. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a53a6463cbee81f5deb05dd2dd12a3692">gcu::Bond</a>.</p>
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<a class="anchor" id="a767961d5e488f0dd70ddf60d1667b0b1"></a><!-- doxytag: member="gcp::Bond::BringToFront" ref="a767961d5e488f0dd70ddf60d1667b0b1" args="()" -->
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<td class="memname">void gcp::Bond::BringToFront </td>
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<p>Brings the bond to front. It has an effect only for crossing bonds. </p>
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<a class="anchor" id="ac5d424632dbc4a09c9458ef0aeb0fbd7"></a><!-- doxytag: member="gcp::Bond::BuildContextualMenu" ref="ac5d424632dbc4a09c9458ef0aeb0fbd7" args="(GtkUIManager *UIManager, Object *object, double x, double y)" -->
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<td class="memname">bool gcp::Bond::BuildContextualMenu </td>
<td>(</td>
<td class="paramtype">GtkUIManager * </td>
<td class="paramname"> <em>UIManager</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">Object * </td>
<td class="paramname"> <em>object</em>, </td>
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<td class="paramtype">double </td>
<td class="paramname"> <em>x</em>, </td>
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<td class="paramtype">double </td>
<td class="paramname"> <em>y</em></td><td> </td>
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<td>)</td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>UIManager,:</em> </td><td>the GtkUIManager to populate. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>object</em> </td><td>the atom on which occured the mouse click. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>x</em> </td><td>x coordinate of the mouse click. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>y</em> </td><td>y coordinate of the mouse click.</td></tr>
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</dd>
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<p>This method is called to build a contextual menu for the atom. </p>
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<a class="anchor" id="a13a2b2cb30550ee227fee9682f3e63fc"></a><!-- doxytag: member="gcp::Bond::GetAngle2D" ref="a13a2b2cb30550ee227fee9682f3e63fc" args="(Atom *pAtom)" -->
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<td class="memname">double gcp::Bond::GetAngle2D </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcp_1_1Atom.html">Atom</a> * </td>
<td class="paramname"> <em>pAtom</em></td>
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<td></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pAtom</em> </td><td>one of the bonded atoms</td></tr>
</table>
</dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>the angle (0 to 306°) that the bond makes from the horizontal when starting from <em>pAtom</em>. </dd></dl>
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<a class="anchor" id="aeb666e701cc6b08929c4d37698062161"></a><!-- doxytag: member="gcp::Bond::GetAtomAt" ref="aeb666e701cc6b08929c4d37698062161" args="(double x, double y, double z=0.)" -->
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<td class="memname">Object* gcp::Bond::GetAtomAt </td>
<td>(</td>
<td class="paramtype">double </td>
<td class="paramname"> <em>x</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"> <em>y</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"> <em>z</em> = <code>0.</code></td><td> </td>
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<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>x</em> </td><td>the x coordinate </td></tr>
<tr><td valign="top"></td><td valign="top"><em>y</em> </td><td>the y coordinate </td></tr>
<tr><td valign="top"></td><td valign="top"><em>z</em> </td><td>the z coordinate</td></tr>
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</dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>a pointer to a bonded atom at or near position defined by the coordinates passed as parameters. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#aa47c38061c6a2e51947d89c86fbae630">gcu::Object</a>.</p>
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<a class="anchor" id="a1bce56bdceb5017c5eeb9d3f39d97da1"></a><!-- doxytag: member="gcp::Bond::GetDist" ref="a1bce56bdceb5017c5eeb9d3f39d97da1" args="(double x, double y)" -->
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<td class="memname">double gcp::Bond::GetDist </td>
<td>(</td>
<td class="paramtype">double </td>
<td class="paramname"> <em>x</em>, </td>
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<td class="paramtype">double </td>
<td class="paramname"> <em>y</em></td><td> </td>
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<td>)</td>
<td></td><td></td><td></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>x</em> </td><td>the x coordinate. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>y</em> </td><td>the x coordinate.</td></tr>
</table>
</dd>
</dl>
<p>Evaluates the distance from the point with coordinates <em>x</em> and <em>y</em> to the bond. The line segment joining the two atoms is used whatever the type and the order of the bond. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>the calculated distance in pm. </dd></dl>
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<a class="anchor" id="a3c468ba06b3a8035ecd2e66d90f39975"></a><!-- doxytag: member="gcp::Bond::GetLine2DCoords" ref="a3c468ba06b3a8035ecd2e66d90f39975" args="(unsigned Num, double *x1, double *y1, double *x2, double *y2)" -->
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<td class="memname">bool gcp::Bond::GetLine2DCoords </td>
<td>(</td>
<td class="paramtype">unsigned </td>
<td class="paramname"> <em>Num</em>, </td>
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<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">double * </td>
<td class="paramname"> <em>x1</em>, </td>
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<td class="paramtype">double * </td>
<td class="paramname"> <em>y1</em>, </td>
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<td></td>
<td class="paramtype">double * </td>
<td class="paramname"> <em>x2</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">double * </td>
<td class="paramname"> <em>y2</em></td><td> </td>
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<td></td>
<td>)</td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>Num</em> </td><td>the index of the line representing a, possibly, multiple bond. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>x1</em> </td><td>where to store the first x coordinate. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>y1</em> </td><td>where to store the first y coordinate. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>x2</em> </td><td>where to store the second x coordinate. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>y2</em> </td><td>where to store the second y coordinate.</td></tr>
</table>
</dd>
</dl>
<p>Retrievers the coordinates of one of the lines representing the bond. Num must be lower than the bond order to succeed. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true on success, false otherwise. </dd></dl>
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<a class="anchor" id="ac8f185d40a67c904d91e2b49f4119138"></a><!-- doxytag: member="gcp::Bond::GetType" ref="ac8f185d40a67c904d91e2b49f4119138" args="() const " -->
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<td class="memname"><a class="el" href="namespacegcp.html#a3dd632d842a1f4886aa7e3da3c02e40c">BondType</a> gcp::Bond::GetType </td>
<td>(</td>
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<td> ) </td>
<td> const<code> [inline]</code></td>
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<dl class="return"><dt><b>Returns:</b></dt><dd>the type of the bond. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#a9c900a7a382cad4a995edbb10b8f179d">gcu::Object</a>.</p>
<p>Definition at line <a class="el" href="gcp_2bond_8h_source.html#l00105">105</a> of file <a class="el" href="gcp_2bond_8h_source.html">gcp/bond.h</a>.</p>
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<a class="anchor" id="ab4481b07aa857a7f14947507b21b84a5"></a><!-- doxytag: member="gcp::Bond::GetYAlign" ref="ab4481b07aa857a7f14947507b21b84a5" args="()" -->
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<td class="memname">double gcp::Bond::GetYAlign </td>
<td>(</td>
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<td> ) </td>
<td><code> [virtual]</code></td>
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<p>Used to retrieve the y coordinate for alignment. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>y coordinate of the bond center. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#aedeec6e6b66e1a35e6d2f3ef75c94a09">gcu::Object</a>.</p>
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<a class="anchor" id="a8b46a23538a24eb02b8e726d5565536b"></a><!-- doxytag: member="gcp::Bond::IncOrder" ref="a8b46a23538a24eb02b8e726d5565536b" args="(int n=1)" -->
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<td class="memname">void gcp::Bond::IncOrder </td>
<td>(</td>
<td class="paramtype">int </td>
<td class="paramname"> <em>n</em> = <code>1</code></td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>n</em> </td><td>the bond order increment. If not given, the default is 1.</td></tr>
</table>
</dd>
</dl>
<p>Tries to increment the bond order by n units. If something goes wrong, the bond order is set to 1. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#ae4334fddde1b10a0b214e15ac3ace3a2">gcu::Bond</a>.</p>
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<a class="anchor" id="ab37a451cd765d4e6e846e7e6d562abde"></a><!-- doxytag: member="gcp::Bond::IsCrossing" ref="ab37a451cd765d4e6e846e7e6d562abde" args="(Bond *pBond)" -->
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<td class="memname">bool gcp::Bond::IsCrossing </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcp_1_1Bond.html">Bond</a> * </td>
<td class="paramname"> <em>pBond</em></td>
<td> ) </td>
<td></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pBond</em> </td><td>a bond which might cross.</td></tr>
</table>
</dd>
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<p>The lines representing two bonds might cross. This method detects this condition. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if bonds cross, false otherwise. </dd></dl>
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<a class="anchor" id="add00d30f47a4b609a7e77472fa89b2bc"></a><!-- doxytag: member="gcp::Bond::LoadNode" ref="add00d30f47a4b609a7e77472fa89b2bc" args="(xmlNodePtr node)" -->
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<td class="memname">bool gcp::Bond::LoadNode </td>
<td>(</td>
<td class="paramtype">xmlNodePtr </td>
<td class="paramname"> <em>node</em></td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>node</em> </td><td>a pointer to the xmlNode containing the serialized <a class="el" href="classgcp_1_1Bond.html">Bond</a>.</td></tr>
</table>
</dd>
</dl>
<p>Loads properties specific to GChemPaint bonds. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a5c07dfc965d7ff0bcdf31d3cd984b3f5">gcu::Bond</a>.</p>
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<a class="anchor" id="afda351941282758411c86c72bf176e01"></a><!-- doxytag: member="gcp::Bond::Move" ref="afda351941282758411c86c72bf176e01" args="(double x, double y, double z=0)" -->
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<td class="memname">void gcp::Bond::Move </td>
<td>(</td>
<td class="paramtype">double </td>
<td class="paramname"> <em>x</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"> <em>y</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"> <em>z</em> = <code>0</code></td><td> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
</tr>
</table>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>x</em> </td><td>the x component of the transation vector. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>y</em> </td><td>the y component of the transation vector. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>z</em> </td><td>the z component of the transation vector.</td></tr>
</table>
</dd>
</dl>
<p>Used to move a bond. Just tells the bond it has been moved and that it's coordinates need to be reevaluated from the new atomic positions. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a15d7c0d54ba3cb8e9d2886ff331bb1d1">gcu::Bond</a>.</p>
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<a class="anchor" id="ac115c3de279940d5b68d497d22c45cc4"></a><!-- doxytag: member="gcp::Bond::MoveToBack" ref="ac115c3de279940d5b68d497d22c45cc4" args="()" -->
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<td class="memname">void gcp::Bond::MoveToBack </td>
<td>(</td>
<td class="paramname"></td>
<td> ) </td>
<td></td>
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<p>Move the bond to the lowest position. It has an effect only for crossing bonds. </p>
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<a class="anchor" id="ae46d9c3524f1a8a4fb4910ff9c8df0dc"></a><!-- doxytag: member="gcp::Bond::RemoveAllCycles" ref="ae46d9c3524f1a8a4fb4910ff9c8df0dc" args="()" -->
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<td class="memname">void gcp::Bond::RemoveAllCycles </td>
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<td><code> [virtual]</code></td>
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<p>Clears the list of the cycles containing the bond. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a1391f6a56f4bc037d6967e53f81b1893">gcu::Bond</a>.</p>
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<a class="anchor" id="aac38d7757df34e9e07c4bd91c9564855"></a><!-- doxytag: member="gcp::Bond::RemoveCycle" ref="aac38d7757df34e9e07c4bd91c9564855" args="(gcu::Cycle *pCycle)" -->
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<td class="memname">void gcp::Bond::RemoveCycle </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Cycle.html">gcu::Cycle</a> * </td>
<td class="paramname"> <em>pCycle</em></td>
<td> ) </td>
<td><code> [virtual]</code></td>
</tr>
</table>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>pCycle</em> </td><td>a cycle.</td></tr>
</table>
</dd>
</dl>
<p>Notifies the bond that it is not anymore in the cycle. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#ad03a409e582f602e9dc5cc6f767df379">gcu::Bond</a>.</p>
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<a class="anchor" id="a2c5a32cd92585b99de4e12ebf31f493d"></a><!-- doxytag: member="gcp::Bond::Revert" ref="a2c5a32cd92585b99de4e12ebf31f493d" args="()" -->
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<td class="memname">void gcp::Bond::Revert </td>
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<td> ) </td>
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<p>Exchanges the start and end atoms. </p>
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<a class="anchor" id="ace12bb96a952939c5e4adc12c17afc48"></a><!-- doxytag: member="gcp::Bond::SaveNode" ref="ace12bb96a952939c5e4adc12c17afc48" args="(xmlDocPtr xml, xmlNodePtr node) const " -->
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<td class="memname">virtual bool gcp::Bond::SaveNode </td>
<td>(</td>
<td class="paramtype">xmlDocPtr </td>
<td class="paramname"> <em>xml</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">xmlNodePtr </td>
<td class="paramname"> <em>node</em></td><td> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td></td><td> const<code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>xml</em> </td><td>the xmlDoc used to save the document. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>node</em> </td><td>a pointer to the xmlNode to which this <a class="el" href="classgcp_1_1Bond.html">Bond</a> is serialized.</td></tr>
</table>
</dd>
</dl>
<p>Saves the GChemPaint <a class="el" href="classgcp_1_1Bond.html">Bond</a> class specific properties, such as the bond type (see <a class="el" href="namespacegcp.html#a3dd632d842a1f4886aa7e3da3c02e40c">gcp::BondType</a> for more information). </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a286b3771c349b417f6c4454ca19a737f">gcu::Bond</a>.</p>
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<a class="anchor" id="adda6a5448d3c42fb37c2ff649da50b02"></a><!-- doxytag: member="gcp::Bond::SetDirty" ref="adda6a5448d3c42fb37c2ff649da50b02" args="()" -->
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<td class="memname">void gcp::Bond::SetDirty </td>
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<p>Tells that the bond has changed, and that the items representing it should be updated accordingly. </p>
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<a class="anchor" id="a42351189a42ff109ba72cffb68741431"></a><!-- doxytag: member="gcp::Bond::SetProperty" ref="a42351189a42ff109ba72cffb68741431" args="(unsigned property, char const *value)" -->
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<td class="memname">bool gcp::Bond::SetProperty </td>
<td>(</td>
<td class="paramtype">unsigned </td>
<td class="paramname"> <em>property</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">char const * </td>
<td class="paramname"> <em>value</em></td><td> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
</tr>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>property</em> </td><td>the property id as defined in <a class="el" href="objprops_8h.html">objprops.h</a> </td></tr>
<tr><td valign="top"></td><td valign="top"><em>value</em> </td><td>the property value as a string</td></tr>
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</dd>
</dl>
<p>Used when loading to set properties for the bond. This method supports GCU_PROP_BOND_TYPE and calls <a class="el" href="classgcu_1_1Bond.html#a37bf95b6f996cd4201c3c8e2566a717a">gcu::Bond::SetProperty()</a> for other properties. </p>
<dl class="return"><dt><b>Returns:</b></dt><dd>true if the property could be set, or if the property is not relevant, false otherwise. </dd></dl>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a37bf95b6f996cd4201c3c8e2566a717a">gcu::Bond</a>.</p>
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<a class="anchor" id="a77121d6a8790f8afa4a4921f7c9b64da"></a><!-- doxytag: member="gcp::Bond::SetSelected" ref="a77121d6a8790f8afa4a4921f7c9b64da" args="(GtkWidget *w, int state)" -->
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<td class="memname">void gcp::Bond::SetSelected </td>
<td>(</td>
<td class="paramtype">GtkWidget * </td>
<td class="paramname"> <em>w</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">int </td>
<td class="paramname"> <em>state</em></td><td> </td>
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<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>w</em> </td><td>the GtkWidget inside which the bond is displayed. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>state</em> </td><td>the selection state of the bond.</td></tr>
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</dd>
</dl>
<p>Used to set the selection state of the bond inside the widget. The values of state might be <a class="el" href="namespacegcp.html#a2873f45c769a642340cfd80eff3dde74abd6a663c786e2d2b135a74d52f0cd552">gcp::SelStateUnselected</a>, <a class="el" href="namespacegcp.html#a2873f45c769a642340cfd80eff3dde74a94b317915b52f90cbc98b15a577b25d8">gcp::SelStateSelected</a>, <a class="el" href="namespacegcp.html#a2873f45c769a642340cfd80eff3dde74adcae1871fb81a60e980331b689fe3ce0">gcp::SelStateUpdating</a>, or <a class="el" href="namespacegcp.html#a2873f45c769a642340cfd80eff3dde74a2d4e3b5f28ae0af00b9381c2548dea00">gcp::SelStateErasing</a>. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#a9a751a51b887de4a4035ff1927c2aede">gcu::Object</a>.</p>
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<a class="anchor" id="a78e1b780b0415610518592480f5b74e9"></a><!-- doxytag: member="gcp::Bond::SetType" ref="a78e1b780b0415610518592480f5b74e9" args="(BondType type)" -->
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<td class="memname">void gcp::Bond::SetType </td>
<td>(</td>
<td class="paramtype"><a class="el" href="namespacegcp.html#a3dd632d842a1f4886aa7e3da3c02e40c">BondType</a> </td>
<td class="paramname"> <em>type</em></td>
<td> ) </td>
<td></td>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>type</em> </td><td>the new bond type.</td></tr>
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</dd>
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<p>Sets the bond type. </p>
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<a class="anchor" id="abe79a5330eb9a97a9a7425a69cc241f3"></a><!-- doxytag: member="gcp::Bond::Transform2D" ref="abe79a5330eb9a97a9a7425a69cc241f3" args="(gcu::Matrix2D &m, double x, double y)" -->
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<td class="memname">void gcp::Bond::Transform2D </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classgcu_1_1Matrix2D.html">gcu::Matrix2D</a> & </td>
<td class="paramname"> <em>m</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"> <em>x</em>, </td>
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<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"> <em>y</em></td><td> </td>
</tr>
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<td></td>
<td>)</td>
<td></td><td></td><td><code> [virtual]</code></td>
</tr>
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<dl><dt><b>Parameters:</b></dt><dd>
<table border="0" cellspacing="2" cellpadding="0">
<tr><td valign="top"></td><td valign="top"><em>m</em> </td><td>the Matrix2D of the transformation. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>x</em> </td><td>the x component of the center of the transformation. </td></tr>
<tr><td valign="top"></td><td valign="top"><em>y</em> </td><td>the y component of the center of the transformation.</td></tr>
</table>
</dd>
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<p>Used to move and/or transform a bond. Just tells the bond it has been moved and /or rotated and that it's coordinates need to be reevaluated from the new atomic positions. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Bond.html#a2d60a39d5316071e2f49a220348885cf">gcu::Bond</a>.</p>
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<a class="anchor" id="a997bcbb9d07e7bda482adb6742416ceb"></a><!-- doxytag: member="gcp::Bond::Update" ref="a997bcbb9d07e7bda482adb6742416ceb" args="(GtkWidget *w) const " -->
<div class="memitem">
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<tr>
<td class="memname">void gcp::Bond::Update </td>
<td>(</td>
<td class="paramtype">GtkWidget * </td>
<td class="paramname"> <em>w</em></td>
<td> ) </td>
<td> const<code> [virtual]</code></td>
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<dl><dt><b>Parameters:</b></dt><dd>
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<tr><td valign="top"></td><td valign="top"><em>w</em> </td><td>the GtkWidget inside which the bond is displayed.</td></tr>
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</dd>
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<p>Used to update the representation of the bond in the widget. </p>
<p>Reimplemented from <a class="el" href="classgcu_1_1Object.html#af2fffc10644e8cb8a18da68c8e18e24c">gcu::Object</a>.</p>
</div>
</div>
<hr/>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="gcp_2bond_8h_source.html">gcp/bond.h</a></li>
</ul>
</div>
<hr size="1"/><address style="text-align: right;"><small>Generated on Sun Sep 6 18:33:54 2009 for The Gnome Chemistry Utils by
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<img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.6.1 </small></address>
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