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espresso-ci committed Nov 7, 2023
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<h1>Source code for espressomd.bond_breakage</h1><div class="highlight"><pre>
<span></span><span class="c1">#</span>
<span class="c1"># Copyright (C) 2022 The ESPResSo project</span>
<span class="c1">#</span>
<span class="c1"># This file is part of ESPResSo.</span>
<span class="c1">#</span>
<span class="c1"># ESPResSo is free software: you can redistribute it and/or modify</span>
<span class="c1"># it under the terms of the GNU General Public License as published by</span>
<span class="c1"># the Free Software Foundation, either version 3 of the License, or</span>
<span class="c1"># (at your option) any later version.</span>
<span class="c1">#</span>
<span class="c1"># ESPResSo is distributed in the hope that it will be useful,</span>
<span class="c1"># but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<span class="c1"># MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<span class="c1"># GNU General Public License for more details.</span>
<span class="c1">#</span>
<span class="c1"># You should have received a copy of the GNU General Public License</span>
<span class="c1"># along with this program. If not, see &lt;http://www.gnu.org/licenses/&gt;.</span>
<span class="c1">#</span>
<span class="kn">from</span> <span class="nn">.script_interface</span> <span class="kn">import</span> <span class="n">script_interface_register</span><span class="p">,</span> <span class="n">ScriptObjectMap</span><span class="p">,</span> <span class="n">ScriptInterfaceHelper</span>
<span class="kn">from</span> <span class="nn">.</span> <span class="kn">import</span> <span class="n">interactions</span>


<div class="viewcode-block" id="BreakageSpec"><a class="viewcode-back" href="../../espressomd.html#espressomd.bond_breakage.BreakageSpec">[docs]</a><span class="nd">@script_interface_register</span>
<span class="k">class</span> <span class="nc">BreakageSpec</span><span class="p">(</span><span class="n">ScriptInterfaceHelper</span><span class="p">):</span>
<span class="sd">&quot;&quot;&quot;</span>
<span class="sd"> Specifications for bond breakage.</span>
<span class="sd"> See :ref:`Deleting bonds when particles are pulled apart` for more details.</span>

<span class="sd"> Parameters</span>
<span class="sd"> ----------</span>
<span class="sd"> breakage_length: :obj:`float`</span>
<span class="sd"> Maximal bond extension until the bond breaks.</span>
<span class="sd"> action_type: :obj:`str`, {&#39;delete_bond&#39;, &#39;revert_bind_at_point_of_collision&#39;, &#39;none&#39;}</span>
<span class="sd"> Action triggered when the bond reaches its maximal extension.</span>

<span class="sd"> &quot;&quot;&quot;</span>

<span class="n">_so_name</span> <span class="o">=</span> <span class="s2">&quot;BondBreakage::BreakageSpec&quot;</span></div>


<div class="viewcode-block" id="BreakageSpecs"><a class="viewcode-back" href="../../espressomd.html#espressomd.bond_breakage.BreakageSpecs">[docs]</a><span class="nd">@script_interface_register</span>
<span class="k">class</span> <span class="nc">BreakageSpecs</span><span class="p">(</span><span class="n">ScriptObjectMap</span><span class="p">):</span>
<span class="n">_so_name</span> <span class="o">=</span> <span class="s2">&quot;BondBreakage::BreakageSpecs&quot;</span>

<span class="k">def</span> <span class="nf">_get_key</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">key</span><span class="p">):</span>
<span class="sd">&quot;&quot;&quot;Convert a bond object to a bond id.&quot;&quot;&quot;</span>
<span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">key</span><span class="p">,</span> <span class="n">interactions</span><span class="o">.</span><span class="n">BondedInteraction</span><span class="p">):</span>
<span class="n">key</span> <span class="o">=</span> <span class="n">key</span><span class="o">.</span><span class="n">_bond_id</span>
<span class="k">if</span> <span class="n">key</span> <span class="o">==</span> <span class="o">-</span><span class="mi">1</span><span class="p">:</span>
<span class="k">raise</span> <span class="ne">ValueError</span><span class="p">(</span><span class="s2">&quot;Bond needs to be added to the system first&quot;</span><span class="p">)</span>
<span class="k">return</span> <span class="n">key</span>

<span class="k">def</span> <span class="fm">__getitem__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">key</span><span class="p">):</span>
<span class="k">return</span> <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__getitem__</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_get_key</span><span class="p">(</span><span class="n">key</span><span class="p">))</span>

<span class="k">def</span> <span class="fm">__setitem__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">key</span><span class="p">,</span> <span class="n">value</span><span class="p">):</span>
<span class="k">return</span> <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__setitem__</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">_get_key</span><span class="p">(</span><span class="n">key</span><span class="p">),</span> <span class="n">value</span><span class="p">)</span></div>
</pre></div>

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