diff --git a/Tests/SubsMat/aaDistrib.txt b/Tests/SubsMat/aaDistrib.txt new file mode 100644 index 00000000000..86d1e83bb0b --- /dev/null +++ b/Tests/SubsMat/aaDistrib.txt @@ -0,0 +1,20 @@ +A 2377 0.0852491 +C 383 0.013736 +D 1669 0.0598573 +E 1655 0.0593552 +F 1167 0.0418535 +G 2185 0.0783632 +H 627 0.0224868 +I 1455 0.0521823 +K 1614 0.0578847 +L 2360 0.0846394 +M 651 0.0233476 +N 1387 0.0497436 +P 1191 0.0427142 +Q 1022 0.0366532 +R 1282 0.0459778 +S 1664 0.0596779 +T 1599 0.0573468 +V 2052 0.0735932 +W 421 0.0150988 +Y 1119 0.040132 diff --git a/Tests/SubsMat/acc_rep_mat.pik b/Tests/SubsMat/acc_rep_mat.pik new file mode 100644 index 00000000000..1d5c34fbc16 --- /dev/null +++ b/Tests/SubsMat/acc_rep_mat.pik @@ -0,0 +1,632 @@ +(dp1 +(S'L' +S'R' +tI109 +s(S'I' +S'I' +tI145 +s(S'Q' +S'Q' +tI42 +s(S'S' +S'T' +tI172 +s(S'H' +S'T' +tI69 +s(S'Q' +S'Y' +tI41 +s(S'H' +S'P' +tI23 +s(S'N' +S'Y' +tI75 +s(S'H' +S'L' +tI70 +s(S'D' +S'K' +tI169 +s(S'H' +S'H' +tI56 +s(S'N' +S'Q' +tI77 +s(S'T' +S'Y' 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+tI143 +s(S'F' +S'L' +tI236 +s. \ No newline at end of file diff --git a/Tests/SubsMat/protein_count.txt b/Tests/SubsMat/protein_count.txt new file mode 100644 index 00000000000..af58d787148 --- /dev/null +++ b/Tests/SubsMat/protein_count.txt @@ -0,0 +1,20 @@ +A 2377 +C 383 +D 1669 +E 1655 +F 1167 +G 2185 +H 627 +I 1455 +K 1614 +L 2360 +M 651 +N 1387 +P 1191 +Q 1022 +R 1282 +S 1664 +T 1599 +V 2052 +W 421 +Y 1119 diff --git a/Tests/SubsMat/protein_freq.txt b/Tests/SubsMat/protein_freq.txt new file mode 100644 index 00000000000..ca6c30ba1d7 --- /dev/null +++ b/Tests/SubsMat/protein_freq.txt @@ -0,0 +1,20 @@ +A 0.0852491 +C 0.013736 +D 0.0598573 +E 0.0593552 +F 0.0418535 +G 0.0783632 +H 0.0224868 +I 0.0521823 +K 0.0578847 +L 0.0846394 +M 0.0233476 +N 0.0497436 +P 0.0427142 +Q 0.0366532 +R 0.0459778 +S 0.0596779 +T 0.0573468 +V 0.0735932 +W 0.0150988 +Y 0.040132 diff --git a/Tests/SubsMat/redAADistrib.txt b/Tests/SubsMat/redAADistrib.txt new file mode 100644 index 00000000000..36e126de33c --- /dev/null +++ b/Tests/SubsMat/redAADistrib.txt @@ -0,0 +1,7 @@ +F 9278 0.332748 +R 3334 0.119571 +O 5672 0.203422 +T 2896 0.103862 +N 3324 0.119212 +G 2185 0.0783632 +P 1191 0.0427142 diff --git a/Tests/SubsMat/redAltAADistrib.txt b/Tests/SubsMat/redAltAADistrib.txt new file mode 100644 index 00000000000..f0bfd09442e --- /dev/null +++ b/Tests/SubsMat/redAltAADistrib.txt @@ -0,0 +1,8 @@ +A 3411 0.2104153 +F 5867 0.1223327 +R 3334 0.119571 +O 5672 0.203422 +T 2896 0.103862 +N 3324 0.119212 +G 2185 0.0783632 +P 1191 0.0427142 diff --git a/Tests/output/test_SubsMat b/Tests/output/test_SubsMat new file mode 100644 index 00000000000..622fcfbb972 --- /dev/null +++ b/Tests/output/test_SubsMat @@ -0,0 +1,1140 @@ +test_SubsMat +Check differences between derived and true frequencies for each +letter. Differences should be very small +A 0.000009 +C 0.000001 +D 0.000006 +E 0.000006 +F 0.000004 +G 0.000008 +H 0.000002 +I 0.000006 +K 0.000006 +L 0.000009 +M 0.000002 +N 0.000005 +P 0.000005 +Q 0.000004 +R 0.000005 +S 0.000006 +T 0.000006 +V 0.000008 +W 0.000002 +Y 0.000004 +A 0.011 +C 0.002 0.002 +D 0.009 0.001 0.008 +E 0.010 0.001 0.008 0.006 +F 0.006 0.002 0.003 0.003 0.004 +G 0.011 0.002 0.007 0.007 0.005 0.016 +H 0.003 0.001 0.003 0.002 0.002 0.003 0.003 +I 0.010 0.002 0.003 0.003 0.008 0.005 0.002 0.007 +K 0.010 0.001 0.008 0.008 0.003 0.007 0.003 0.004 0.006 +L 0.015 0.003 0.006 0.007 0.012 0.008 0.004 0.017 0.006 0.016 +M 0.004 0.001 0.001 0.002 0.003 0.002 0.001 0.004 0.002 0.008 0.001 +N 0.007 0.001 0.008 0.006 0.003 0.007 0.003 0.003 0.007 0.005 0.002 0.003 +P 0.006 0.001 0.005 0.005 0.003 0.005 0.001 0.003 0.005 0.004 0.001 0.005 0.006 +Q 0.006 0.001 0.006 0.005 0.002 0.004 0.002 0.003 0.005 0.004 0.001 0.004 0.003 0.002 +R 0.008 0.001 0.006 0.006 0.003 0.004 0.002 0.003 0.008 0.005 0.002 0.005 0.004 0.004 0.005 +S 0.010 0.001 0.008 0.007 0.005 0.008 0.003 0.004 0.007 0.008 0.002 0.006 0.005 0.005 0.005 0.006 +T 0.010 0.002 0.006 0.008 0.003 0.008 0.003 0.004 0.007 0.009 0.002 0.005 0.005 0.005 0.006 0.009 0.004 +V 0.013 0.003 0.005 0.006 0.008 0.007 0.003 0.016 0.007 0.022 0.005 0.005 0.005 0.003 0.004 0.006 0.007 0.012 +W 0.002 0.000 0.001 0.001 0.002 0.002 0.001 0.002 0.001 0.004 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.002 0.002 +Y 0.006 0.001 0.003 0.003 0.007 0.005 0.002 0.005 0.003 0.009 0.002 0.004 0.003 0.002 0.003 0.004 0.005 0.007 0.003 0.004 + A C D E F G H I K L M N P Q R S T V W Y +Diff between supplied and matrix-derived frequencies, should be small +Y 0.00 +V 0.00 +W 0.00 +T 0.00 +R 0.00 +S 0.00 +P 0.00 +Q 0.00 +N 0.00 +L 0.01 +M 0.00 +K 0.00 +H 0.00 +I 0.01 +F 0.00 +G 0.01 +D 0.00 +E 0.00 +C 0.00 +A 0.00 +Calculating sum of letters for an observed frequency matrix +Y 0.04 +V 0.08 +W 0.02 +T 0.06 +R 0.04 +S 0.06 +P 0.04 +Q 0.04 +N 0.05 +L 0.09 +M 0.02 +K 0.06 +H 0.02 +I 0.06 +F 0.04 +G 0.07 +D 0.06 +E 0.05 +C 0.02 +A 0.09 +Total sum 1.00 should be 1.0 + +Log odds matrix +A 1.60 +V -0.20 2.90 +I 0.10 2.30 3.30 +L -0.20 1.90 2.10 2.60 +M -0.10 1.10 2.00 2.30 2.90 +C -0.30 0.90 0.70 0.30 -0.20 9.50 +F -1.00 0.60 1.60 1.50 1.90 0.70 2.90 +W -0.70 -0.60 0.00 0.90 2.10 -0.90 1.70 7.80 +Y -0.60 0.10 -0.20 0.40 0.10 -1.30 2.80 2.70 3.70 +H -0.90 -1.40 -2.50 -1.10 -1.50 -1.70 -0.40 -0.80 0.30 6.90 +S 0.10 -2.00 -2.00 -1.30 -1.30 -1.80 -0.50 -2.30 -1.20 0.30 2.40 +T 0.10 -0.80 -1.70 -0.60 -1.90 -0.60 -1.70 -0.20 -0.20 1.10 1.20 1.20 +N -0.50 -1.90 -2.20 -2.30 -1.10 -0.70 -1.80 -0.10 -0.20 1.10 0.30 0.00 1.90 +Q 0.20 -2.10 -1.30 -2.30 -1.00 -1.40 -2.20 -1.90 -1.70 1.10 0.90 0.80 0.60 2.10 +K -0.10 -1.30 -2.20 -2.80 -2.30 -1.60 -1.90 -2.50 -1.60 0.60 0.40 0.40 1.20 1.20 2.70 +R 0.10 -1.90 -2.40 -1.80 -0.20 -2.50 -1.40 -0.90 -0.70 0.20 -0.30 0.60 0.50 0.60 1.80 4.00 +D -0.50 -2.70 -3.00 -2.50 -4.30 -3.60 -2.10 -2.20 -1.70 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00000000000..655825aa8ef --- /dev/null +++ b/Tests/test_SubsMat.py @@ -0,0 +1,40 @@ +import cPickle +import sys +from Bio.SubsMat import * + +f = sys.stdout +ftab_prot = FreqTable.read_count(open('SubsMat/protein_count.txt')) +ctab_prot = FreqTable.read_freq(open('SubsMat/protein_freq.txt')) +f.write("Check differences between derived and true frequencies for each\n") +f.write("letter. Differences should be very small\n") +for i in ftab_prot.alphabet.letters: + f.write("%s %f\n" % (i, abs(ftab_prot[i] - ctab_prot[i]))) + +acc_rep_mat = cPickle.load(open('SubsMat/acc_rep_mat.pik')) +acc_rep_mat = SubsMat.SeqMat(acc_rep_mat) +obs_freq_mat = SubsMat._build_obs_freq_mat(acc_rep_mat) +ftab_prot2 = SubsMat._exp_freq_table_from_obs_freq(obs_freq_mat) +obs_freq_mat.print_mat(f=f,format=" %4.3f") + + +f.write("Diff between supplied and matrix-derived frequencies, should be small\n") +for i in ftab_prot.keys(): + f.write("%s %.2f\n" % (i,abs(ftab_prot[i] - ftab_prot2[i]))) + +s = 0. +f.write("Calculating sum of letters for an observed frequency matrix\n") +obs_freq_mat.all_letters_sum() +for i in obs_freq_mat.sum_letters.keys(): + f.write("%s\t%.2f\n" % (i, obs_freq_mat.sum_letters[i])) + s += obs_freq_mat.sum_letters[i] +f.write("Total sum %.2f should be 1.0\n" % (s)) +lo_mat_prot = \ +SubsMat.make_log_odds_matrix(acc_rep_mat=acc_rep_mat,round_digit=1) #,ftab_prot +f.write("\nLog odds matrix\n") +lo_mat_prot.print_mat(f=f,format=" %.2f",alphabet='AVILMCFWYHSTNQKRDEGP') + +f.write("\nTesting MatrixInfo\n") +for i in MatrixInfo.available_matrices: + mat = SubsMat.SeqMat(getattr(MatrixInfo,i)) + f.write("\n%s\n------------\n" % i) + mat.print_mat(f=f) diff --git a/Tests/test_align.py b/Tests/test_align.py index 6ec763a9b9b..ef465302786 100644 --- a/Tests/test_align.py +++ b/Tests/test_align.py @@ -12,10 +12,12 @@ import os # biopython +from Bio.Alphabet import IUPAC from Bio.Clustalw import Clustalw from Bio.Align.FormatConvert import FormatConverter from Bio.Align import AlignInfo from Bio.Fasta import FastaAlign +from Bio.SubsMat import FreqTable print "testing reading and writing clustal format..." test_dir = os.path.join(os.getcwd(), 'Clustalw') @@ -74,8 +76,11 @@ 'A' : 0.25, 'T' : 0.25} +e_freq_table = FreqTable.FreqTable(e_freq, FreqTable.FREQ, + IUPAC.unambiguous_dna) + print 'relative information:', align_info.information_content( - expected_freqs = e_freq, + e_freq_table = e_freq_table, chars_to_ignore = ['N']) print "testing reading and writing fasta format..."