Esempi in C++ (Cpp) per T2::getNumOnBits

Esempio n. 1

File: BitOps.cpp Progetto: DoliathGavid/rdkit

double SokalSimilarity(const T1& bv1, const T2& bv2) {
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  double x = NumOnBitsInCommon(bv1, bv2);
  double y = bv1.getNumOnBits();
  double z = bv2.getNumOnBits();

  return x / (2 * y + 2 * z - 3 * x);
}

Esempio n. 2

File: BitOps.cpp Progetto: DoliathGavid/rdkit

DoubleVect OnBitProjSimilarity(const T1& bv1, const T2& bv2) {
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  DoubleVect res(2, 0.0);
  double num = NumOnBitsInCommon(bv1, bv2);
  if (num) {
    res[0] = num / bv1.getNumOnBits();
    res[1] = num / bv2.getNumOnBits();
  }
  return res;
}

Esempio n. 3

File: BitOps.cpp Progetto: DoliathGavid/rdkit

double TanimotoSimilarity(const T1& bv1, const T2& bv2) {
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  double x = NumOnBitsInCommon(bv1, bv2);
  double y = bv1.getNumOnBits();
  double z = bv2.getNumOnBits();
  if ((y + z - x) == 0.0)
    return 1.0;
  else
    return x / (y + z - x);
}

Esempio n. 4

File: BitOps.cpp Progetto: DoliathGavid/rdkit

double RogotGoldbergSimilarity(const T1& bv1, const T2& bv2) {
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  double x = NumOnBitsInCommon(bv1, bv2);
  double y = bv1.getNumOnBits();
  double z = bv2.getNumOnBits();
  double l = bv1.getNumBits();
  double d = l - y - z + x;
  if ((x == l) || (d == l))
    return 1.0;
  else
    return (x / (y + z) + (d) / (2 * l - y - z));
}

Esempio n. 5

File: BitOps.cpp Progetto: DoliathGavid/rdkit

double BraunBlanquetSimilarity(const T1& bv1, const T2& bv2) {
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  double x = NumOnBitsInCommon(bv1, bv2);
  double y = bv1.getNumOnBits();
  double z = bv2.getNumOnBits();

  if (tmax(y, z) > 0) {
    return x / tmax(y, z);
  } else {
    return 0.0;
  }
}

Esempio n. 6

File: BitOps.cpp Progetto: DoliathGavid/rdkit

double McConnaugheySimilarity(const T1& bv1, const T2& bv2) {
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  double x = NumOnBitsInCommon(bv1, bv2);
  double y = bv1.getNumOnBits();
  double z = bv2.getNumOnBits();

  if (y * z > 0.0) {
    return (x * (y + z) - (y * z)) / (y * z);
  } else {
    return 0.0;
  }
}

Esempio n. 7

File: BitOps.cpp Progetto: DoliathGavid/rdkit

double CosineSimilarity(const T1& bv1, const T2& bv2) {
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  double x = NumOnBitsInCommon(bv1, bv2);
  double y = bv1.getNumOnBits();
  double z = bv2.getNumOnBits();

  if (y * z > 0.0) {
    return x / sqrt(y * z);
  } else {
    return 0.0;
  }
}

Esempio n. 8

File: BitOps.cpp Progetto: DoliathGavid/rdkit

double TverskySimilarity(const T1& bv1, const T2& bv2, double a, double b) {
  RANGE_CHECK(0, a, 1);
  RANGE_CHECK(0, b, 1);
  if (bv1.getNumBits() != bv2.getNumBits())
    throw ValueErrorException("BitVects must be same length");
  double x = NumOnBitsInCommon(bv1, bv2);
  double y = bv1.getNumOnBits();
  double z = bv2.getNumOnBits();
  double denom = a * y + b * z + (1 - a - b) * x;
  if (denom == 0.0)
    return 1.0;
  else
    return x / denom;
}