Congestion(IAtomContainer mol, int[][] adjList) { final int numAtoms = mol.getAtomCount(); this.contribution = new double[numAtoms][numAtoms]; this.atoms = AtomContainerManipulator.getAtomArray(mol); for (int v = 0; v < numAtoms; v++) for (int w : adjList[v]) contribution[v][v] = contribution[v][w] = -1; this.score = initScore(); }
Congestion(IAtomContainer mol, int[][] adjList) { final int numAtoms = mol.getAtomCount(); this.contribution = new double[numAtoms][numAtoms]; this.atoms = AtomContainerManipulator.getAtomArray(mol); for (int v = 0; v < numAtoms; v++) for (int w : adjList[v]) contribution[v][v] = contribution[v][w] = -1; this.score = initScore(); }