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https://github.com/rdkit/rdkit.git
synced 2026-06-05 22:04:27 +08:00
batch dos2unix conversion; untabify
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@@ -143,9 +143,9 @@ bool AllProbeBitsMatch(const T1 &probe,const std::string &pkl){
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// if(probe.GetBit(i)){
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for(std::vector<int>::const_iterator i=obl.begin();i!=obl.end();i++){
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while(currBit<*i && nOn>0){
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if(format==2) currBit++;
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currBit=getBitId(text,format,size,currBit);
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nOn--;
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if(format==2) currBit++;
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currBit=getBitId(text,format,size,currBit);
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nOn--;
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}
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if(currBit!=*i) return false;
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//}
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@@ -164,14 +164,14 @@ template bool AllProbeBitsMatch(const ExplicitBitVect& bv1,const std::string &pk
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template <typename T1, typename T2>
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int
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NumOnBitsInCommon(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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return OnBitsInCommon(bv1,bv2).size();
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}
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int
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NumOnBitsInCommon(const ExplicitBitVect& bv1,
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const ExplicitBitVect& bv2)
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const ExplicitBitVect& bv2)
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{
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//std::cout << "nobic" << std::endl;
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int res = 0;
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@@ -201,7 +201,7 @@ NumOnBitsInCommon(const ExplicitBitVect& bv1,
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template <typename T1, typename T2>
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const double
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TanimotoSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -216,7 +216,7 @@ TanimotoSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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CosineSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -234,7 +234,7 @@ CosineSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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KulczynskiSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -253,7 +253,7 @@ KulczynskiSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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DiceSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -271,7 +271,7 @@ DiceSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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SokalSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -285,7 +285,7 @@ SokalSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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McConnaugheySimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -315,7 +315,7 @@ inline T tmax(T v1,T v2) {
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template <typename T1, typename T2>
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const double
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AsymmetricSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -333,7 +333,7 @@ AsymmetricSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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BraunBlanquetSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -351,7 +351,7 @@ BraunBlanquetSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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RusselSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -377,7 +377,7 @@ RusselSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const double
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OnBitSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -408,7 +408,7 @@ OnBitSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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const int
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NumBitsInCommon(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -434,7 +434,7 @@ NumBitsInCommon(const T1& bv1,
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template <typename T1, typename T2>
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const double
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AllBitSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -462,7 +462,7 @@ AllBitSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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IntVect
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OnBitsInCommon(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -488,7 +488,7 @@ OnBitsInCommon(const T1& bv1,
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template <typename T1, typename T2>
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IntVect
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OffBitsInCommon(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -525,7 +525,7 @@ OffBitsInCommon(const T1& bv1,
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template <typename T1, typename T2>
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DoubleVect
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OnBitProjSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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@@ -566,7 +566,7 @@ OnBitProjSimilarity(const T1& bv1,
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template <typename T1, typename T2>
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DoubleVect
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OffBitProjSimilarity(const T1& bv1,
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const T2& bv2)
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const T2& bv2)
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{
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if(bv1.GetNumBits()!=bv2.GetNumBits())
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throw ValueErrorException("BitVects must be same length");
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