# | Line 6 | Line 6 | |
---|---|---|
6 | * redistribute this software in source and binary code form, provided | |
7 | * that the following conditions are met: | |
8 | * | |
9 | < | * 1. Acknowledgement of the program authors must be made in any |
10 | < | * publication of scientific results based in part on use of the |
11 | < | * program. An acceptable form of acknowledgement is citation of |
12 | < | * the article in which the program was described (Matthew |
13 | < | * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 | < | * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 | < | * Parallel Simulation Engine for Molecular Dynamics," |
16 | < | * J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 | < | * |
18 | < | * 2. Redistributions of source code must retain the above copyright |
9 | > | * 1. Redistributions of source code must retain the above copyright |
10 | * notice, this list of conditions and the following disclaimer. | |
11 | * | |
12 | < | * 3. Redistributions in binary form must reproduce the above copyright |
12 | > | * 2. Redistributions in binary form must reproduce the above copyright |
13 | * notice, this list of conditions and the following disclaimer in the | |
14 | * documentation and/or other materials provided with the | |
15 | * distribution. | |
# | Line 37 | Line 28 | |
28 | * arising out of the use of or inability to use software, even if the | |
29 | * University of Notre Dame has been advised of the possibility of | |
30 | * such damages. | |
31 | + | * |
32 | + | * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
33 | + | * research, please cite the appropriate papers when you publish your |
34 | + | * work. Good starting points are: |
35 | + | * |
36 | + | * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 | + | * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 | + | * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
39 | + | * [4] Vardeman & Gezelter, in progress (2009). |
40 | */ | |
41 | ||
42 | #ifndef MDPARSER_SIMPLEPREPROCESSOR_HPP | |
# | Line 47 | Line 47 | |
47 | #include <sstream> | |
48 | #include "utils/StringTokenizer.hpp" | |
49 | #include "utils/Trim.hpp" | |
50 | < | #include "utils/OOPSEException.hpp" |
50 | > | #include "utils/OpenMDException.hpp" |
51 | #include "utils/simError.h" | |
52 | ||
53 | ||
# | Line 57 | Line 57 | |
57 | * @note only supports #include #ifdef, #ifndef, #endif, #define and #undef, c-like multiple line | |
58 | * comment is not supported, macro substitute is not supported. | |
59 | */ | |
60 | < | namespace oopse { |
60 | > | namespace OpenMD { |
61 | class SimplePreprocessor { | |
62 | public: | |
63 | bool preprocess(std::istream& myStream, const std::string& filename, int startingLine, ostream& os) { | |
# | Line 82 | Line 82 | class SimplePreprocessor { | |
82 | // painCave.isFatal = 1; | |
83 | // simError(); | |
84 | // | |
85 | < | // throw OOPSEException(ss.str()); |
85 | > | // throw OpenMDException(ss.str()); |
86 | //} | |
87 | int lineNo = startingLine; | |
88 | os << "#line " << lineNo << " \"" << filename << "\"\n"; | |
# | Line 114 | Line 114 | class SimplePreprocessor { | |
114 | if (!includeStream.is_open()) { | |
115 | std::stringstream ss; | |
116 | ss << "Can not open " << includeFilename << " for preprocessing\n"; | |
117 | < | throw OOPSEException(ss.str()); |
117 | > | throw OpenMDException(ss.str()); |
118 | } | |
119 | ||
120 | bool ret = subPreprocessor.doPreprocess(includeStream, includeFilename, 1, os, defineSet, ifStates); |
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