| 1 |  | /********************************************************************** | 
| 2 |  |  | 
| 3 |  | This basic Periodic Table class was originally taken from the data.cpp | 
| 4 | < | file in OpenBabel. The code has been modified to match the OOPSE coding style. | 
| 4 | > | file in OpenBabel. The code has been modified to match the OpenMD coding style. | 
| 5 |  |  | 
| 6 |  | We have retained the OpenBabel copyright and GPL license on this class: | 
| 7 |  |  | 
| 37 |  | #include <cstdlib> | 
| 38 |  | #include "utils/ElementsTable.hpp" | 
| 39 |  | #include "utils/simError.h" | 
| 40 | < | #include "io/basic_ifstrstream.hpp" | 
| 40 | > | #include "io/ifstrstream.hpp" | 
| 41 |  |  | 
| 42 |  | #if !HAVE_STRNCASECMP | 
| 43 |  | extern "C" int strncasecmp(const char *s1, const char *s2, size_t n); | 
| 53 |  | #define BUFF_SIZE 32768 | 
| 54 |  | #endif | 
| 55 |  |  | 
| 56 | < | namespace oopse { | 
| 56 | > | namespace OpenMD { | 
| 57 |  |  | 
| 58 |  | ElementsTable etab; | 
| 59 |  |  | 
| 60 |  | ElementsTable::ElementsTable() { | 
| 61 |  | init_ = false; | 
| 62 | < | STR_DEFINE(dir_, FRC_PATH ); | 
| 62 | > | dir_ = std::string("TO_STRING(FRC_PATH)"); | 
| 63 |  | envvar_ = "FORCE_PARAM_PATH"; | 
| 64 |  | filename_ = "element.txt"; | 
| 65 |  | } |