[4d4d33] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
|
---|
[94d5ac6] | 5 | *
|
---|
| 6 | *
|
---|
| 7 | * This file is part of MoleCuilder.
|
---|
| 8 | *
|
---|
| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
|
---|
| 10 | * it under the terms of the GNU General Public License as published by
|
---|
| 11 | * the Free Software Foundation, either version 2 of the License, or
|
---|
| 12 | * (at your option) any later version.
|
---|
| 13 | *
|
---|
| 14 | * MoleCuilder is distributed in the hope that it will be useful,
|
---|
| 15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
|
---|
| 16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
---|
| 17 | * GNU General Public License for more details.
|
---|
| 18 | *
|
---|
| 19 | * You should have received a copy of the GNU General Public License
|
---|
| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
|
---|
[4d4d33] | 21 | */
|
---|
| 22 |
|
---|
| 23 | /*
|
---|
| 24 | * ParseTremoloPotentialsAction.cpp
|
---|
| 25 | *
|
---|
| 26 | * Created on: Feb 9, 2011
|
---|
| 27 | * Author: heber
|
---|
| 28 | */
|
---|
| 29 |
|
---|
| 30 | // include config.h
|
---|
| 31 | #ifdef HAVE_CONFIG_H
|
---|
| 32 | #include <config.h>
|
---|
| 33 | #endif
|
---|
| 34 |
|
---|
| 35 | #include "CodePatterns/MemDebug.hpp"
|
---|
| 36 |
|
---|
| 37 | #include "Parser/TremoloParser.hpp"
|
---|
| 38 | #include "Parser/FormatParserStorage.hpp"
|
---|
| 39 | #include "CodePatterns/Log.hpp"
|
---|
| 40 | #include "CodePatterns/Verbose.hpp"
|
---|
| 41 |
|
---|
| 42 | #include <iostream>
|
---|
| 43 | #include <string>
|
---|
| 44 |
|
---|
| 45 | #include <boost/filesystem/fstream.hpp>
|
---|
| 46 |
|
---|
| 47 | #include "ParseTremoloPotentialsAction.hpp"
|
---|
| 48 |
|
---|
[ce7fdc] | 49 | using namespace MoleCuilder;
|
---|
| 50 |
|
---|
[4d4d33] | 51 | // and construct the stuff
|
---|
| 52 | #include "ParseTremoloPotentialsAction.def"
|
---|
| 53 | #include "Action_impl_pre.hpp"
|
---|
| 54 | /** =========== define the function ====================== */
|
---|
| 55 | Action::state_ptr ParserParseTremoloPotentialsAction::performCall() {
|
---|
| 56 | boost::filesystem::ifstream test;
|
---|
[765f16] | 57 | FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>();
|
---|
[4d4d33] | 58 | // parsing file if present
|
---|
[f10b0c] | 59 | if (!boost::filesystem::exists(params.filename.get())) {
|
---|
| 60 | LOG(1, "Specified potentials file " << params.filename.get() << " not found.");
|
---|
[4d4d33] | 61 | // DONT FAIL: it's just empty we re-create default id-mapping
|
---|
[765f16] | 62 | parser.createKnownTypesByIdentity();
|
---|
[4d4d33] | 63 |
|
---|
| 64 | } else {
|
---|
[47d041] | 65 | LOG(1, "Specified potentials file found, parsing ... ");
|
---|
[4d4d33] | 66 |
|
---|
| 67 | // parse the file
|
---|
[f10b0c] | 68 | test.open(params.filename.get());
|
---|
[765f16] | 69 | parser.parseKnownTypes(test);
|
---|
[4d4d33] | 70 | test.close();
|
---|
| 71 | }
|
---|
| 72 |
|
---|
| 73 | return Action::success;
|
---|
| 74 | }
|
---|
| 75 |
|
---|
| 76 | Action::state_ptr ParserParseTremoloPotentialsAction::performUndo(Action::state_ptr _state) {
|
---|
| 77 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
|
---|
| 78 |
|
---|
| 79 | return Action::failure;
|
---|
| 80 | // string newName = state->mol->getName();
|
---|
| 81 | // state->mol->setName(state->lastName);
|
---|
| 82 | //
|
---|
| 83 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
|
---|
| 84 | }
|
---|
| 85 |
|
---|
| 86 | Action::state_ptr ParserParseTremoloPotentialsAction::performRedo(Action::state_ptr _state){
|
---|
| 87 | return Action::failure;
|
---|
| 88 | }
|
---|
| 89 |
|
---|
| 90 | bool ParserParseTremoloPotentialsAction::canUndo() {
|
---|
| 91 | return false;
|
---|
| 92 | }
|
---|
| 93 |
|
---|
| 94 | bool ParserParseTremoloPotentialsAction::shouldUndo() {
|
---|
| 95 | return false;
|
---|
| 96 | }
|
---|
| 97 | /** =========== end of function ====================== */
|
---|