| 1 |
tim |
1765 |
/* |
| 2 |
|
|
* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
| 3 |
|
|
* |
| 4 |
|
|
* Contact: oopse@oopse.org |
| 5 |
|
|
* |
| 6 |
|
|
* This program is free software; you can redistribute it and/or |
| 7 |
|
|
* modify it under the terms of the GNU Lesser General Public License |
| 8 |
|
|
* as published by the Free Software Foundation; either version 2.1 |
| 9 |
|
|
* of the License, or (at your option) any later version. |
| 10 |
|
|
* All we ask is that proper credit is given for our work, which includes |
| 11 |
|
|
* - but is not limited to - adding the above copyright notice to the beginning |
| 12 |
|
|
* of your source code files, and to any copyright notice that you may distribute |
| 13 |
|
|
* with programs based on this work. |
| 14 |
|
|
* |
| 15 |
|
|
* This program is distributed in the hope that it will be useful, |
| 16 |
|
|
* but WITHOUT ANY WARRANTY; without even the implied warranty of |
| 17 |
|
|
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
| 18 |
|
|
* GNU Lesser General Public License for more details. |
| 19 |
|
|
* |
| 20 |
|
|
* You should have received a copy of the GNU Lesser General Public License |
| 21 |
|
|
* along with this program; if not, write to the Free Software |
| 22 |
|
|
* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
| 23 |
|
|
* |
| 24 |
|
|
*/ |
| 25 |
|
|
|
| 26 |
|
|
#include "io/DirectionalAtomTypesSectionParser.hpp" |
| 27 |
|
|
|
| 28 |
|
|
namespace oopse { |
| 29 |
|
|
|
| 30 |
|
|
DirectionalAtomTypesSectionParser::DirectionalAtomTypesSectionParser() { |
| 31 |
|
|
setSectionName("DirectionalAtomTypes"); |
| 32 |
|
|
} |
| 33 |
|
|
|
| 34 |
|
|
void DirectionalAtomTypesSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){ |
| 35 |
|
|
StringTokenizer tokenizer(line); |
| 36 |
|
|
int nTokens = tokenizer.countTokens(); |
| 37 |
|
|
|
| 38 |
|
|
//in AtomTypeSection, a line at least contains 2 tokens |
| 39 |
|
|
//atomTypeName and mass |
| 40 |
|
|
if (nTokens < 4) { |
| 41 |
|
|
std::cerr << "DirectionalAtomTypesSectionParser:: Not enought Tokens" << std::endl; |
| 42 |
|
|
} else { |
| 43 |
|
|
|
| 44 |
|
|
std::string atomTypeName = tokenizer.nextToken(); |
| 45 |
|
|
AtomType* atomType = ff ->getAtomType(atomTypeName); |
| 46 |
|
|
DirectionalAtomType* dAtomType; |
| 47 |
|
|
if (atomType == NULL) { |
| 48 |
|
|
dAtomType = new DirectionalAtomType(); |
| 49 |
|
|
int ident = ff.getNAtomType() + 1; |
| 50 |
|
|
atomType->setIdent(ident); |
| 51 |
|
|
atomType->setName(atomTypeName); |
| 52 |
|
|
ff.addAtomType(atomTypeName, atomType) |
| 53 |
|
|
} else { |
| 54 |
|
|
dAtomType = dynamic_cast<DirectionalAtom*>(atomType); |
| 55 |
|
|
if (dAtomType == NULL) { |
| 56 |
|
|
std::cerr << "DirectionalAtomTypesSectionParser:: Can not cast to DirectionalAtomType" << std::endl; |
| 57 |
|
|
} |
| 58 |
|
|
} |
| 59 |
|
|
|
| 60 |
|
|
double Ixx = tokenizer.nextTokenAsDouble(); |
| 61 |
|
|
double Iyy = tokenizer.nextTokenAsDouble(); |
| 62 |
|
|
double Izz = tokenizer.nextTokenAsDouble(); |
| 63 |
|
|
Mat3x3d inertialMat; |
| 64 |
|
|
inertialMat(0, 0) = Ixx; |
| 65 |
|
|
inertialMat(1, 1) = Iyy; |
| 66 |
|
|
inertialMat(2, 2) = Izz; |
| 67 |
|
|
dAtomType->setI(inertialMat); |
| 68 |
|
|
|
| 69 |
|
|
} |
| 70 |
|
|
|
| 71 |
|
|
} |
| 72 |
|
|
|
| 73 |
|
|
} //end namespace oopse |
