Pteros
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Molecular modeling library for human beings!
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distance_search_within_sel.h
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/*
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* This file is a part of
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*
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* ============================================
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* ### Pteros molecular modeling library ###
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* ============================================
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*
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* https://github.com/yesint/pteros
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*
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* (C) 2009-2021, Semen Yesylevskyy
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*
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* All works, which use Pteros, should cite the following papers:
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*
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* 1. Semen O. Yesylevskyy, "Pteros 2.0: Evolution of the fast parallel
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* molecular analysis library for C++ and python",
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* Journal of Computational Chemistry, 2015, 36(19), 1480–1488.
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* doi: 10.1002/jcc.23943.
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*
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* 2. Semen O. Yesylevskyy, "Pteros: Fast and easy to use open-source C++
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* library for molecular analysis",
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* Journal of Computational Chemistry, 2012, 33(19), 1632–1636.
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* doi: 10.1002/jcc.22989.
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*
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* This is free software distributed under Artistic License:
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* http://www.opensource.org/licenses/artistic-license-2.0.php
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*
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*/
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#pragma once
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#include "distance_search_within_base.h"
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namespace
pteros {
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class
DistanceSearchWithinSel:
public
DistanceSearchWithinBase {
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public
:
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DistanceSearchWithinSel(
float
d,
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const
Selection& src,
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const
Selection& target,
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std::vector<int> &res,
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bool
include_self=
true
,
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Vector3i_const_ref pbc = noPBC);
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};
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}
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src
core
distance_search
distance_search_within_sel.h
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