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#include "io/LennardJonesAtomTypesSectionParser.hpp" |
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#include "types/AtomType.hpp" |
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#include "UseTheForce/ForceField.hpp" |
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+ |
#include "utils/simError.h" |
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namespace oopse { |
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LennardJonesAtomTypesSectionParser::LennardJonesAtomTypesSectionParser() { |
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//in AtomTypeSection, a line at least contains 2 tokens |
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//atomTypeName and mass |
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if (nTokens < 3) { |
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< |
|
59 |
> |
sprintf(painCave.errMsg, "LennardJonesAtomTypesSectionParser Error: Not enough tokens at line %d\n", |
60 |
> |
lineNo); |
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> |
painCave.isFatal = 1; |
62 |
> |
simError(); |
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} else { |
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std::string atomTypeName = tokenizer.nextToken(); |