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// $Id$
//
// C++ Implementation: atomselection
//
// Description:
//
//
#include "atomselection.h"
#include <algorithm> //required for set_union|intersection
namespace PTools {
AtomSelection::AtomSelection(const Rigidbody& rigid)
{
m_rigid=&rigid;
for (uint i=0; i < rigid.Size(); i++)
{
this->AddAtomIndex(i);
}
}
AtomSelection::~AtomSelection()
{
}
AtomSelection::AtomSelection(const AtomSelection& oldsel)
{
this->m_rigid = oldsel.m_rigid;
this->m_list = oldsel.m_list;
}
Rigidbody AtomSelection::CreateRigid()
{
Rigidbody newrigid;
for (uint i=0; i<this->Size(); i++)
{
Atom at = m_rigid->CopyAtom(m_list[i]);
newrigid.AddAtom(at);
}
return newrigid;
}
AtomSelection AtomSelection::non(const AtomSelection& atsel)
{
return !atsel;
}
AtomSelection operator& (const AtomSelection& atsel1,const AtomSelection& atsel2)
{
AtomSelection selout;
if (atsel1.m_rigid != atsel2.m_rigid)
{
selout.m_rigid=0;
std::cout << "Warning: tring to find the intersection of two different rigidbody" << std::endl;
return selout;
}
//else:
selout.m_rigid = atsel1.m_rigid;
set_intersection(atsel1.m_list.begin(), atsel1.m_list.end(),
atsel2.m_list.begin(), atsel2.m_list.end(), back_inserter(selout.m_list));
return selout;
}
AtomSelection operator| (const AtomSelection& atsel1,const AtomSelection& atsel2)
{
AtomSelection selout;
AtomSelection cpatsel1(atsel1); //makes a copy of atsel1
AtomSelection cpatsel2(atsel2); // makes a copy of atsel2
if (atsel1.m_rigid != atsel2.m_rigid)
{
selout.m_rigid=0;
std::cout<<"Warning: for now you should not make union of two different rigidbody this way!" << std::endl;
return selout;
}
//else:
selout.m_rigid = atsel1.m_rigid;
sort(cpatsel1.m_list.begin(), cpatsel1.m_list.end());
sort(cpatsel2.m_list.begin(), cpatsel2.m_list.end());
set_union(cpatsel1.m_list.begin(), cpatsel1.m_list.end(),
cpatsel2.m_list.begin(), cpatsel2.m_list.end(), back_inserter(selout.m_list));
std::vector<uint> list2;
unique_copy(selout.m_list.begin(),selout.m_list.end(),back_inserter(list2));
swap(selout.m_list, list2);
return selout;
}
AtomSelection operator! (const AtomSelection& seltoinverse)
{
//TODO: tests!
AtomSelection selout;
selout.SetRigid(*seltoinverse.m_rigid);
AtomSelection all = seltoinverse.m_rigid->SelectAllAtoms();
set_difference(all.m_list.begin(), all.m_list.end(),
seltoinverse.m_list.begin(), seltoinverse.m_list.end(),
back_inserter(selout.m_list));
return selout;
}
}
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