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<html lang="en" data-content_root="../../"> | ||
<head> | ||
<meta charset="utf-8" /> | ||
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<title>espressomd.bond_breakage — ESPResSo 4.3-dev documentation</title> | ||
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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 <http://www.gnu.org/licenses/>.</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> | ||
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<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="w"> </span><span class="sd">"""</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> | ||
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<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`, {'delete_bond', 'revert_bind_at_point_of_collision', 'none'}</span> | ||
<span class="sd"> Action triggered when the bond reaches its maximal extension.</span> | ||
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<span class="sd"> """</span> | ||
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<span class="n">_so_name</span> <span class="o">=</span> <span class="s2">"BondBreakage::BreakageSpec"</span></div> | ||
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<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">"BondBreakage::BreakageSpecs"</span> | ||
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<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="w"> </span><span class="sd">"""Convert a bond object to a bond id."""</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">"Bond needs to be added to the system first"</span><span class="p">)</span> | ||
<span class="k">return</span> <span class="n">key</span> | ||
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<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> | ||
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<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> | ||
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