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/********************************************************************** |
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This basic Periodic Table class was originally taken from the data.cpp |
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file in OpenBabel. The code has been modified to match the OOPSE coding style. |
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file in OpenBabel. The code has been modified to match the OpenMD coding style. |
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We have retained the OpenBabel copyright and GPL license on this class: |
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* @version 1.0 |
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*/ |
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#include <iostream> |
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#include "config.h" |
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#include <iostream> |
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#include <cstdlib> |
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#include <string> |
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#include <fstream> |
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#include <cstdlib> |
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#include "utils/ElementsTable.hpp" |
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#include "utils/simError.h" |
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#include "io/basic_ifstrstream.hpp" |
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#include "io/ifstrstream.hpp" |
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#if !HAVE_STRNCASECMP |
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extern "C" int strncasecmp(const char *s1, const char *s2, size_t n); |
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#ifdef _MSC_VER |
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#define strncasecmp _strnicmp |
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#define strcasecmp _stricmp |
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#endif |
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#ifdef WIN32 |
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#define FILE_SEP_CHAR "\\" |
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#else |
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#define BUFF_SIZE 32768 |
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#endif |
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namespace oopse { |
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namespace OpenMD { |
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ElementsTable etab; |
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ElementsTable::ElementsTable() { |
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init_ = false; |
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STR_DEFINE(dir_, FRC_PATH ); |
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dir_ = std::string("TO_STRING(FRC_PATH)"); |
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envvar_ = "FORCE_PARAM_PATH"; |
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filename_ = "element.txt"; |
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} |
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return elements_.size(); |
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} |
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char *ElementsTable::GetSymbol(int atomicnum) { |
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const char *ElementsTable::GetSymbol(int atomicnum) { |
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if (!init_) |
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Init(); |
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