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#include "primitives/Molecule.hpp" |
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namespace oopse { |
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RadialDistrFunc:: RadialDistrFunc(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2) |
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: info_(info), currentSnapshot_(NULL), dumpFilename_(filename), step_(1), |
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RadialDistrFunc::RadialDistrFunc(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2) |
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: StaticAnalyser(info, filename), |
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selectionScript1_(sele1), selectionScript2_(sele2), evaluator1_(info), evaluator2_(info), |
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seleMan1_(info), seleMan2_(info), common_(info), sele1_minus_common_(info), sele2_minus_common_(info){ |
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//stage 3 are completely overlapping |
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if (evaluator1_.isDynamic() || evaluator2_.isDynamic()) { |
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– |
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common_ = seleMan1_ & seleMan2_; |
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sele1_minus_common_ = seleMan1_ - common_; |
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sele2_minus_common_ = seleMan2_ - common_; |
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int nSelected2 = seleMan2_.getSelectionCount(); |
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int nIntersect = common_.getSelectionCount(); |
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nPairs_ = nSelected1 * nSelected2 - (nIntersect +1) * nIntersect/2; |
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nPairs_ = nSelected1 * nSelected2 - (nIntersect +1) * nIntersect/2; |
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} |
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– |
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processNonOverlapping(sele1_minus_common_, seleMan2_); |
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processNonOverlapping(common_, sele2_minus_common_); |
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processOverlapping(common_); |
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< |
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processHistogram(); |
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} |