def testStudyVariance(self): alnFileName = "../../alignmentFiles/mmult.list-FINAL.aln" workingDirectory = "../../alignmentFiles/" resultsFileName2 = "../../alignmentFiles/results2.results" generateMultipleAlignment.getResidues(0.8, resultsFileName2, alnFileName, workingDirectory, False, True, False) AtomicresultsFileName = "../../alignmentFiles/results2.Atomic" generateMultipleAlignment.composeAtomicMatrix(resultsFileName2, AtomicresultsFileName) filteredAtomicMatrixFileName = "../../alignmentFiles/filteredResults2.Atomic" generateMultipleAlignment.filterAtomicMatrix(AtomicresultsFileName, filteredAtomicMatrixFileName) caMatrixFileName = "../../alignmentFiles/filteredResults2.Atomic" dimensions = generateMultipleAlignment.getDimensions(caMatrixFileName) (mask, matrix) = svdAnalysis.loadCAmatrix(caMatrixFileName, dimensions) (caMatrix, caMask) = svdAnalysis.getCovarianceMatrix(mask, matrix) (atoms_variance, atoms_variance_mask) = svdAnalysis.getAtomsVariance(caMatrix, caMask) (max, min, mean, normalizedAtoms) = svdAnalysis.atoms_variance_statistics(atoms_variance, atoms_variance_mask) print ("max %f \n" % (max,)) print ("min %f \n" % (min,)) print ("mean %f \n" % (mean,)) print normalizedAtoms print "\n\n" workingDirectory = "../../alignmentFiles/" varianceFileName = workingDirectory + "variance.atomic" maskFileName = workingDirectory + "variance_mask.atomic" svdAnalysis.serializeAtomsVariance(atoms_variance, atoms_variance_mask, varianceFileName, maskFileName) (atoms_variance, atoms_variance_mask) = svdAnalysis.encarnateAtomsVariance(varianceFileName, maskFileName) assert 30 == len(atoms_variance[0]) for variance in atoms_variance[0]: print ("%3.f \n" % (variance,))
def testGlobal(self): caMatrixFileName = "../../alignmentFiles/filteredResults2.Atomic" dimensions = generateMultipleAlignment.getDimensions(caMatrixFileName) print ("%d %d\n" % (dimensions[0], dimensions[1])) (mask, matrix) = svdAnalysis.loadCAmatrix(caMatrixFileName, dimensions) (caMatrix, caMask) = svdAnalysis.getCovarianceMatrix(mask, matrix) print ("%d %d\n" % (caMatrix.shape[0], caMatrix.shape[1])) matrixFileName = "../../alignmentFiles/matrix.float" maskFileName = "../../alignmentFiles/mask.float" # print("\n caMatrix\n") # print caMatrix # print("\ncaMask\n") # print caMask svdAnalysis.serialize_matrix(caMatrix, matrixFileName) diagonalFileName = "../../alignmentFiles/diagonal.float" (ca_atoms, ca_mask) = svdAnalysis.getAtomsVariance(caMatrix, caMask) svdAnalysis.serialize_matrix(ca_atoms, diagonalFileName) svdAnalysis.serialize_matrix(ca_mask, maskFileName)
def testGlobalReal(self): alnFileName = "../../alignmentFiles/mmult3.aux" workingDirectory = "../../alignmentFiles/" resultsFileName2 = "../../alignmentFiles/results2.results" generateMultipleAlignment.getResidues(0.4, resultsFileName2, alnFileName, workingDirectory, False, True, False) AtomicresultsFileName = "../../alignmentFiles/results2.Atomic" generateMultipleAlignment.composeAtomicMatrix(resultsFileName2, AtomicresultsFileName) filteredAtomicMatrixFileName = "../../alignmentFiles/filteredResults2.Atomic" generateMultipleAlignment.filterAtomicMatrix(AtomicresultsFileName, filteredAtomicMatrixFileName) caMatrixFileName = "../../alignmentFiles/filteredResults2.Atomic" dimensions = generateMultipleAlignment.getDimensions(caMatrixFileName) print "dimensions\n" print ("%d %d \n" % (dimensions[0], dimensions[1])) (mask, matrix) = svdAnalysis.loadCAmatrix(caMatrixFileName, dimensions) (caMatrix, caMask) = svdAnalysis.getCovarianceMatrix(mask, matrix) print ("matrix.shape %d %d" % (caMatrix.shape[0], caMatrix.shape[1])) maskFileName = workingDirectory + "mask.atomic" matrixFileName = workingDirectory + "matrix.atomic" svdAnalysis.serializeCAMaskAndCAMatrix(mask, matrix, maskFileName, matrixFileName) realCAMatrixFileName = workingDirectory + "caMatrix.atomic" realCAMaskFileName = workingDirectory + "caMask.atomic" svdAnalysis.serializeCAMaskAndCAMatrix(caMask, caMatrix, realCAMaskFileName, realCAMatrixFileName)
def test1loadCAmatrix(self): """To generate filteredResults2.Atomic: 1.-generateMultipleAlignment. alnFileName = "../../alignmentFiles/mmult3.aux" resultsFileName2 = "../../alignmentFiles/results2.results" generateMultipleAlignment.getResidues(0.8, resultsFileName2, alnFileName, workingDirectory, False,True, False) AtomicresultsFileName = "../../alignmentFiles/results2.Atomic" generateMultipleAlignment.composeAtomicMatrix(resultsFileName2, AtomicresultsFileName) filteredAtomicMatrixFileName = "../../alignmentFiles/filteredResults2.Atomic" generateMultipleAlignment.filterAtomicMatrix(AtomicresultsFileName, filteredAtomicMatrixFileName) """ caMatrixFileName = "../../alignmentFiles/filteredResults2.Atomic" dimensions = generateMultipleAlignment.getDimensions(caMatrixFileName) (mask, cAmatrix) = svdAnalysis.loadCAmatrix(caMatrixFileName, dimensions) # assert (70,9) == mask.shape # assert (70,9) == cAmatrix.shape print ("\n") print cAmatrix print ("\n") print mask print ("\n")
def __load_variability_measures(self): (self.__mask, self.__matrix) = svdAnalysis.loadCAmatrix(self.__filteredAtomicMatrixFileName, self.dimensions) (self.__covMatrix, self.__covMask) = svdAnalysis.getCovarianceMatrix(self.__mask, self.__matrix) (self.atoms_variance, self.atoms_variance_mask) = svdAnalysis.getAtomsVariance(self.__covMatrix, self.__covMask)