| 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /*
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| 9 | * UndoRedoHelpers.cpp
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| 10 | *
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| 11 | * Created on: Apr 5, 2012
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 |
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| 16 | // include config.h
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| 17 | #ifdef HAVE_CONFIG_H
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| 18 | #include <config.h>
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| 19 | #endif
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| 20 |
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| 21 | #include "CodePatterns/MemDebug.hpp"
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| 22 |
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| 23 | #include "UndoRedoHelpers.hpp"
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| 24 |
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| 25 | #include <boost/foreach.hpp>
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| 26 |
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| 27 | #include "Atom/atom.hpp"
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| 28 | #include "Descriptors/AtomIdDescriptor.hpp"
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| 29 | #include "CodePatterns/Assert.hpp"
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| 30 | #include "CodePatterns/Log.hpp"
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| 31 | #include "World.hpp"
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| 32 |
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| 33 | bool MoleCuilder::AddAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms)
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| 34 | {
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| 35 | size_t i=0;
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| 36 | for (; i<atoms.size(); ++i) {
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| 37 | // re-create the atom
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| 38 | LOG(1, "Re-adding atom " << atoms[i].getId() << ".");
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| 39 | atom *Walker = World::getInstance().createAtom();
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| 40 | if (!atoms[i].setAtom(*Walker)) {
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| 41 | ELOG(1, "Failed to set id.");
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| 42 | World::getInstance().destroyAtom(Walker);
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| 43 | break;
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| 44 | }
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| 45 | }
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| 46 | if (i<atoms.size()) {
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| 47 | // remove all previous ones, too
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| 48 | for (size_t j=0;j<i;++j)
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| 49 | World::getInstance().destroyAtom(atoms[j].getId());
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| 50 | // and announce the failure
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| 51 | return false;
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| 52 | }
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| 53 | return true;
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| 54 | }
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| 55 |
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| 56 | void MoleCuilder::RemoveAtomsFromAtomicInfo(std::vector<AtomicInfo> &atoms)
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| 57 | {
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| 58 | BOOST_FOREACH(const AtomicInfo &_atom, atoms) {
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| 59 | World::getInstance().destroyAtom(_atom.getId());
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| 60 | }
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| 61 | }
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| 62 |
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| 63 | void MoleCuilder::SetAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms)
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| 64 | {
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| 65 | BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
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| 66 | const atomId_t id = _atominfo.getId();
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| 67 | atom * const _atom = World::getInstance().getAtom(AtomById(id));
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| 68 | ASSERT( _atom != NULL,
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| 69 | "MoleCuilder::SetAtomsFromAtomicInfo() - cannot find atom with id "
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| 70 | +toString(id)+" in the world.");
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| 71 | _atominfo.setAtom( *_atom );
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| 72 | }
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| 73 | }
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| 74 |
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| 75 | void MoleCuilder::SelectAtomsFromAtomicInfo(std::vector<AtomicInfo> &movedatoms)
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| 76 | {
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| 77 | BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
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| 78 | const atomId_t id = _atominfo.getId();
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| 79 | World::getInstance().selectAtom(id);
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| 80 | }
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| 81 | }
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| 82 |
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| 83 | void MoleCuilder::ResetAtomPosition(const std::vector<AtomicInfo> &movedatoms, const std::vector<Vector> &MovedToVector)
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| 84 | {
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| 85 | std::vector<Vector>::const_iterator positer = MovedToVector.begin();
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| 86 | ASSERT(movedatoms.size() == MovedToVector.size(),
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| 87 | "MoleCuilder::ResetAtomPosition() - the number of atoms "
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| 88 | +toString(movedatoms.size())+" and the number of positions "
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| 89 | +toString(MovedToVector.size())+" is not the same.");
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| 90 | BOOST_FOREACH( const AtomicInfo &_atominfo, movedatoms) {
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| 91 | const atomId_t id = _atominfo.getId();
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| 92 | atom * const _atom = World::getInstance().getAtom(AtomById(id));
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| 93 | ASSERT( _atom != NULL,
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| 94 | "FillSphericalSurfaceAction::performRedo() - cannot find atom with id "
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| 95 | +toString(id)+" in the world.");
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| 96 | _atom->setPosition( *positer );
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| 97 | ++positer;
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| 98 | }
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| 99 | }
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