46 |
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47 |
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namespace oopse { |
48 |
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|
49 |
< |
GofXyz::GofXyz(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2) |
50 |
< |
: RadialDistrFunc(info, filename, sele1, sele2){ |
49 |
> |
GofXyz::GofXyz(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins) |
50 |
> |
: RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins) { |
51 |
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setOutputName(getPrefix(filename) + ".gxyz"); |
52 |
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|
53 |
+ |
deltaR_ = len_ / nRBins_; |
54 |
+ |
|
55 |
+ |
histogram_.resize(nRBins_); |
56 |
+ |
for (int i = 0 ; i < nRBins_; ++i) { |
57 |
+ |
histogram_[i].resize(nRBins_); |
58 |
+ |
for(int j = 0; j < nRBins_; ++j) { |
59 |
+ |
histogram_[i][j].resize(nRBins_); |
60 |
+ |
} |
61 |
+ |
} |
62 |
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} |
63 |
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64 |
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|
147 |
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148 |
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} else { |
149 |
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|
150 |
< |
|
150 |
> |
sprintf(painCave.errMsg, "GofXyz: unable to open %s\n", outputFilename_.c_str()); |
151 |
> |
painCave.isFatal = 1; |
152 |
> |
simError(); |
153 |
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} |
154 |
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155 |
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rdfStream.close(); |