| 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. |
| 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, 234107 (2008). |
| 39 |
+ |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
+ |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
|
|
| 43 |
|
/** |
| 50 |
|
#ifndef UTILS_STRINGUTILS_HPP |
| 51 |
|
#define UTILS_STRINGUTILS_HPP |
| 52 |
|
#include <string> |
| 53 |
+ |
#include <string.h> |
| 54 |
|
#include <iostream> |
| 55 |
|
#include <fstream> |
| 56 |
|
#include <sstream> |
| 57 |
|
|
| 58 |
< |
namespace oopse { |
| 58 |
> |
namespace OpenMD { |
| 59 |
|
|
| 60 |
|
/** |
| 61 |
|
* Converts a string to UPPER CASE |
| 85 |
|
* |
| 86 |
|
* @return the line number of the block within the theStream |
| 87 |
|
*/ |
| 88 |
< |
int findBegin(std::istream &theStream, char* startText ); |
| 88 |
> |
int findBegin(std::istream &theStream, const char* startText ); |
| 89 |
|
|
| 90 |
|
/** |
| 91 |
|
* Counts the number of tokens on line which are delimited by the characters |
| 111 |
|
|
| 112 |
|
/** |
| 113 |
|
* Convert a variable to a string |
| 114 |
< |
* @param T data type |
| 114 |
> |
* @tparam T data type |
| 115 |
|
* @param v data to be converted |
| 116 |
|
* @return a string |
| 117 |
|
*/ |
| 148 |
|
|
| 149 |
|
bool isInteger(const std::string& str); |
| 150 |
|
|
| 151 |
< |
std::string OOPSE_itoa(int value, unsigned int base = 10); |
| 151 |
> |
std::string OpenMD_itoa(int value, unsigned int base = 10); |
| 152 |
|
|
| 153 |
|
/**@todo need implementation */ |
| 154 |
|
std::string getPrefix(const std::string& str); |
| 173 |
|
oss << ")"; |
| 174 |
|
return oss.str(); |
| 175 |
|
} |
| 176 |
< |
|
| 175 |
< |
|
| 176 |
> |
unsigned long long memparse (char *ptr, char **retptr); |
| 177 |
|
} |
| 178 |
|
#endif |
