/usr/lib/python2.7/dist-packages/cogent/evolve/substitution_model.py is in python-cogent 1.9-9.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 | #!/usr/bin/env python
"""
substitution_model.py
Contains classes for defining Markov models of substitution.
These classes depend on an Alphabet class member for defining the set
of motifs that each represent a state in the Markov chain. Examples of
a 'dna' type alphabet motif is 'a', and of a 'codon' type motif is'atg'.
By default all models include the gap motif ('-' for a 'dna' alphabet or
'---' for a 'codon' alphabet). This differs from software such as PAML,
where gaps are treated as ambiguituous states (specifically, as 'n'). The gap
motif state can be excluded from the substitution model using the method
excludeGapMotif(). It is recommended that to ensure the alignment and the
substitution model are defined with the same alphabet that modifications
are done to the substitution model alphabet and this instance is then given
to the alignment.
The model's substitution rate parameters are represented as a dictionary
with the parameter names as keys, and predicate functions as the values.
These predicate functions compare a pair of motifs, returning True or False.
Many such functions are provided as methods of the class. For instance,
the istransition method is pertinent to dna based models. This method returns
True if an 'a'/'g' or 'c'/'t' pair is passed to it, False otherwise. In this
way the positioning of parameters in the instantaneous rate matrix (commonly
called Q) is determined.
>>> model = Nucleotide(equal_motif_probs=True)
>>> model.setparameterrules({'alpha': model.istransition})
>>> parameter_controller = model.makeParamController(tree)
"""
import numpy
from numpy.linalg import svd
import warnings
import inspect
from cogent.core import moltype
from cogent.evolve import parameter_controller, predicate, motif_prob_model
from cogent.evolve.substitution_calculation import (
SubstitutionParameterDefn as ParamDefn,
RateDefn, LengthDefn, ProductDefn, CallDefn, CalcDefn,
PartitionDefn, NonParamDefn, AlignmentAdaptDefn, ExpDefn,
ConstDefn, GammaDefn, MonotonicDefn, SelectForDimension,
WeightedPartitionDefn)
from cogent.evolve.discrete_markov import PsubMatrixDefn
from cogent.evolve.likelihood_tree import makeLikelihoodTreeLeaf
from cogent.maths.optimisers import ParameterOutOfBoundsError
__author__ = "Peter Maxwell, Gavin Huttley and Andrew Butterfield"
__copyright__ = "Copyright 2007-2016, The Cogent Project"
__contributors__ = ["Gavin Huttley", "Andrew Butterfield", "Peter Maxwell",
"Matthew Wakefield", "Brett Easton", "Rob Knight",
"Von Bing Yap"]
__license__ = "GPL"
__version__ = "1.9"
__maintainer__ = "Gavin Huttley"
__email__ = "gavin.huttley@anu.edu.au"
__status__ = "Production"
def predicate2matrix(alphabet, pred, mask=None):
"""From a test like istransition() produce an MxM boolean matrix"""
M = len(alphabet)
result = numpy.zeros([M,M], int)
for i in range(M):
for j in range(M):
if mask is None or mask[i,j]:
result[i,j] = pred(alphabet[i], alphabet[j])
return result
def redundancyInPredicateMasks(preds):
# Calculate the nullity of the predicates. If non-zero
# there is some redundancy and the model will be overparameterised.
if len(preds) <= 1:
return 0
eqns = 1.0 * numpy.array([list(mask.flat) for mask in preds.values()])
svs = svd(eqns)[1]
# count non-duplicate non-zeros singular values
matrix_rank = len([sv for sv in svs if abs(sv) > 1e-8])
return len(preds) - matrix_rank
def _maxWidthIfTruncated(pars, delim, each):
# 'pars' is an array of lists of strings, how long would the longest
# list representation be if the strings were truncated at 'each'
# characters and joined together with 'delim'.
return max([
sum([min(len(par), each) for par in par_list])
+ len(delim) * (len(par_list)-1)
for par_list in pars.flat])
def _isSymmetrical(matrix):
return numpy.alltrue(numpy.alltrue(matrix == numpy.transpose(matrix)))
def extend_docstring_from(cls, pre=False):
def docstring_inheriting_decorator(fn):
parts = [getattr(cls,fn.__name__).__doc__, fn.__doc__ or '']
if pre: parts.reverse()
fn.__doc__ = ''.join(parts)
return fn
return docstring_inheriting_decorator
class _SubstitutionModel(object):
# Subclasses must provide
# .makeParamControllerDefns()
def __init__(self, alphabet,
motif_probs=None, optimise_motif_probs=False,
equal_motif_probs=False, motif_probs_from_data=None,
motif_probs_alignment=None, mprob_model=None,
model_gaps=False, recode_gaps=False, motif_length=None,
name="", motifs=None):
# subclasses can extend this incomplete docstring
"""
Alphabet:
- alphabet - An Alphabet object
- motif_length: Use a tuple alphabet based on 'alphabet'.
- motifs: Use a subalphabet that only contains those motifs.
- model_gaps: Whether the gap motif should be included as a state.
- recode_gaps: Whether gaps in an alignment should be treated as an
ambiguous state instead.
Motif Probability:
- motif_probs: Dictionary of probabilities.
- equal_motif_probs: Flag to set alignment motif probs equal.
- motif_probs_alignment: An alignment from which motif probs are set.
If none of these options are set then motif probs will be derived
from the data: ie the particular alignment provided later.
- optimise_motif_probs: Treat like other free parameters. Any values
set by the other motif_prob options will be used as initial values.
- mprob_model: 'tuple', 'conditional' or 'monomer' to specify how
tuple-alphabet (including codon) motif probs are used.
"""
# MISC
assert len(alphabet) < 65, "Alphabet too big. Try explicitly "\
"setting alphabet to PROTEIN or DNA"
self.name = name
self._optimise_motif_probs = optimise_motif_probs
# ALPHABET
if recode_gaps:
if model_gaps:
warnings.warn("Converting gaps to wildcards AND modeling gaps")
else:
model_gaps = False
self.recode_gaps = recode_gaps
self.MolType = alphabet.MolType
if model_gaps:
alphabet = alphabet.withGapMotif()
if motif_length > 1:
alphabet = alphabet.getWordAlphabet(motif_length)
if motifs is not None:
alphabet = alphabet.getSubset(motifs)
self.alphabet = alphabet
self.gapmotif = alphabet.getGapMotif()
self._word_length = alphabet.getMotifLen()
# MOTIF PROB ALPHABET MAPPING
if mprob_model is None:
mprob_model = 'tuple' if self._word_length==1 else 'conditional'
elif mprob_model == 'word':
mprob_model = 'tuple'
if model_gaps and mprob_model != 'tuple':
raise ValueError("mprob_model must be 'tuple' to model gaps")
isinst = self._isInstantaneous
self._instantaneous_mask = predicate2matrix(self.alphabet, isinst)
self._instantaneous_mask_f = self._instantaneous_mask * 1.0
self.mprob_model = motif_prob_model.makeModel(mprob_model, alphabet,
self._instantaneous_mask_f)
# MOTIF PROBS
if equal_motif_probs:
assert not (motif_probs or motif_probs_alignment), \
"Motif probs equal or provided but not both"
motif_probs = self.mprob_model.makeEqualMotifProbs()
elif motif_probs_alignment is not None:
assert not motif_probs, \
"Motif probs from alignment or provided but not both"
motif_probs = self.countMotifs(motif_probs_alignment)
motif_probs = motif_probs.astype(float) / sum(motif_probs)
assert len(alphabet) == len(motif_probs)
motif_probs = dict(zip(alphabet, motif_probs))
if motif_probs:
self.adaptMotifProbs(motif_probs) # to check
self.motif_probs = motif_probs
if motif_probs_from_data is None:
motif_probs_from_data = False
else:
self.motif_probs = None
if motif_probs_from_data is None:
motif_probs_from_data = True
self.motif_probs_from_align = motif_probs_from_data
def getParamList(self):
return []
def __str__(self):
s = ["\n%s (" % self.__class__.__name__ ]
s.append("name = '%s'; type = '%s';" %
(getattr(self, "name", None), getattr(self, "type", None)))
if hasattr(self, "predicate_masks"):
parlist = self.predicate_masks.keys()
s.append("params = %s;" % parlist)
motifs = self.getMotifs()
s.append("number of motifs = %s;" % len(motifs))
s.append("motifs = %s)\n" % motifs)
return " ".join(s)
def getAlphabet(self):
return self.alphabet
def getMprobAlphabet(self):
return self.mprob_model.getInputAlphabet()
def getMotifs(self):
return list(self.getAlphabet())
def getWordLength(self):
return self._word_length
def getMotifProbs(self):
"""Return the dictionary of motif probabilities."""
return self.motif_probs.copy()
def setParamControllerMotifProbs(self, pc, mprobs, **kw):
return self.mprob_model.setParamControllerMotifProbs(pc, mprobs, **kw)
def makeLikelihoodFunction(self, tree, motif_probs_from_align=None,
optimise_motif_probs=None, aligned=True, expm=None, digits=None,
space=None, **kw):
if motif_probs_from_align is None:
motif_probs_from_align = self.motif_probs_from_align
if optimise_motif_probs is None:
optimise_motif_probs = self._optimise_motif_probs
kw['optimise_motif_probs'] = optimise_motif_probs
kw['motif_probs_from_align'] = motif_probs_from_align
if aligned:
klass = parameter_controller.AlignmentLikelihoodFunction
else:
alphabet = self.getAlphabet()
assert alphabet.getGapMotif() not in alphabet
klass = parameter_controller.SequenceLikelihoodFunction
result = klass(self, tree, **kw)
if self.motif_probs is not None:
result.setMotifProbs(self.motif_probs, is_constant=
not optimise_motif_probs, auto=True)
if expm is None:
expm = self._default_expm_setting
if expm is not None:
result.setExpm(expm)
if digits or space:
result.setTablesFormat(digits=digits, space=space)
return result
def makeParamController(self, tree, motif_probs_from_align=None,
optimise_motif_probs=None, **kw):
# deprecate
return self.makeLikelihoodFunction(tree,
motif_probs_from_align = motif_probs_from_align,
optimise_motif_probs = optimise_motif_probs,
**kw)
def convertAlignment(self, alignment):
# this is to support for everything but HMM
result = {}
for seq_name in alignment.getSeqNames():
sequence = alignment.getGappedSeq(seq_name, self.recode_gaps)
result[seq_name] = self.convertSequence(sequence, seq_name)
return result
def convertSequence(self, sequence, name):
# makeLikelihoodTreeLeaf, sort of an indexed profile where duplicate
# columns stored once, so likelihoods only calc'd once
return makeLikelihoodTreeLeaf(sequence, self.getAlphabet(), name)
def countMotifs(self, alignment, include_ambiguity=False):
return self.mprob_model.countMotifs(alignment,
include_ambiguity, self.recode_gaps)
def makeAlignmentDefn(self, model):
align = NonParamDefn('alignment', ('locus',))
# The name of this matters, it's used in likelihood_function.py
# to retrieve the correct (adapted) alignment.
return AlignmentAdaptDefn(model, align)
def adaptMotifProbs(self, motif_probs, auto=False):
return self.mprob_model.adaptMotifProbs(motif_probs, auto=auto)
def calcMonomerProbs(self, word_probs):
# Not presently used, always go monomer->word instead
return self.mprob_model.calcMonomerProbs(word_probs)
def calcWordProbs(self, monomer_probs):
return self.mprob_model.calcWordProbs(monomer_probs)
def calcWordWeightMatrix(self, monomer_probs):
return self.mprob_model.calcWordWeightMatrix(monomer_probs)
def makeParamControllerDefns(self, bin_names, endAtQd=False):
(input_probs, word_probs, mprobs_matrix) = \
self.mprob_model.makeMotifWordProbDefns()
if len(bin_names) > 1:
bprobs = PartitionDefn(
[1.0/len(bin_names) for bin in bin_names], name = "bprobs",
dimensions=['locus'], dimension=('bin', bin_names))
else:
bprobs = None
defns = {
'align': self.makeAlignmentDefn(ConstDefn(self, 'model')),
'bprobs': bprobs,
'word_probs': word_probs,
}
rate_params = self.makeRateParams(bprobs)
if endAtQd:
defns['Qd'] = self.makeQdDefn(word_probs, mprobs_matrix, rate_params)
else:
defns['psubs'] = self.makePsubsDefn(
bprobs, word_probs, mprobs_matrix, rate_params)
return defns
class DiscreteSubstitutionModel(_SubstitutionModel):
_default_expm_setting = None
def _isInstantaneous(self, x, y):
return True
def getParamList(self):
return []
def makeRateParams(self, bprobs):
return []
def makePsubsDefn(self, bprobs, word_probs, mprobs_matrix, rate_params):
assert len(rate_params) == 0
assert word_probs is mprobs_matrix, "Must use simple mprob model"
motifs = tuple(self.getAlphabet())
return PsubMatrixDefn(
name="psubs", dimension = ('motif', motifs), default=None,
dimensions=('locus', 'edge'))
class _ContinuousSubstitutionModel(_SubstitutionModel):
# subclass must provide:
#
# - parameter_order: a list of parameter names corresponding to the
# arguments of:
#
# - calcExchangeabilityMatrix(*params)
# convert len(self.parameter_order) params to a matrix
"""A substitution model for which the rate matrix (P) is derived from an
instantaneous rate matrix (Q). The nature of the parameters used to define
Q is up to the subclasses.
"""
# At some point this can be made variable, and probably
# the default changed to False
long_indels_are_instantaneous = True
_scalableQ = True
_exponentiator = None
_default_expm_setting = 'either'
@extend_docstring_from(_SubstitutionModel)
def __init__(self, alphabet, with_rate=False, ordered_param=None,
distribution=None, partitioned_params=None, do_scaling=None, **kw):
"""
- with_rate: Add a 'rate' parameter which varies by bin.
- ordered_param: name of a single parameter which distinguishes any bins.
- distribution: choices of 'free' or 'gamma' or an instance of some
distribution. Could probably just deprecate free
- partitioned_params: names of params to be partitioned across bins
- do_scaling: Scale branch lengths as the expected number of
substitutions. Reduces the maximum substitution df by 1.
"""
_SubstitutionModel.__init__(self, alphabet, **kw)
alphabet = self.getAlphabet() # as may be altered by recode_gaps etc.
if do_scaling is None:
do_scaling = self._scalableQ
if do_scaling and not self._scalableQ:
raise ValueError("Can't autoscale a %s model" % type(self).__name__)
self._do_scaling = do_scaling
# BINS
if not ordered_param:
if ordered_param is not None:
warnings.warn('ordered_param should be a string or None')
ordered_param = None
if distribution:
if with_rate:
ordered_param = 'rate'
else:
raise ValueError('distribution provided without ordered_param')
elif not isinstance(ordered_param, str):
warnings.warn('ordered_param should be a string or None')
assert len(ordered_param) == 1, 'More than one ordered_param'
ordered_param = ordered_param[0]
assert ordered_param, "False value hidden in list"
self.ordered_param = ordered_param
if distribution == "gamma":
distribution = GammaDefn
elif distribution in [None, "free"]:
distribution = MonotonicDefn
elif isinstance(distribution, basestring):
raise ValueError('Unknown distribution "%s"' % distribution)
self.distrib_class = distribution
if not partitioned_params:
partitioned_params = ()
elif isinstance(partitioned_params, str):
partitioned_params = (partitioned_params,)
else:
partitioned_params = tuple(partitioned_params)
if self.ordered_param:
if self.ordered_param not in partitioned_params:
partitioned_params += (self.ordered_param,)
self.partitioned_params = partitioned_params
if 'rate' in partitioned_params:
with_rate = True
self.with_rate = with_rate
# CACHED SHORTCUTS
self._exponentiator = None
#self._ident = numpy.identity(len(self.alphabet), float)
def checkParamsExist(self):
"""Raise an error if the parameters specified to be partitioned or
ordered don't actually exist."""
for param in self.partitioned_params:
if param not in self.parameter_order and param != 'rate':
desc = ['partitioned', 'ordered'][param==self.ordered_param]
raise ValueError('%s param "%s" unknown' % (desc, param))
def _isInstantaneous(self, x, y):
diffs = sum([X!=Y for (X,Y) in zip(x,y)])
return diffs == 1 or (diffs > 1 and
self.long_indels_are_instantaneous and self._isAnyIndel(x, y))
def _isAnyIndel(self, x, y):
"""An indel of any length"""
# Things get complicated when a contigous indel of any length is OK:
if x == y:
return False
gap_start = gap_end = gap_strand = None
for (i, (X,Y)) in enumerate(zip(x,y)):
G = self.gapmotif[i]
if X != Y:
if X != G and Y != G:
return False # non-gap differences had their chance above
elif gap_start is None:
gap_start = i
gap_strand = [X,Y].index(G)
elif gap_end is not None or [X,Y].index(G) != gap_strand:
return False # can't start a second gap
else:
pass # extend open gap
elif gap_start is not None:
gap_end = i
return True
def calcQ(self, word_probs, mprobs_matrix, *params):
Q = self.calcExchangeabilityMatrix(word_probs, *params)
Q *= mprobs_matrix
row_totals = Q.sum(axis=1)
Q -= numpy.diag(row_totals)
if self._do_scaling:
Q *= 1.0 / (word_probs * row_totals).sum()
return Q
def makeQdDefn(self, word_probs, mprobs_matrix, rate_params):
"""Diagonalized Q, ie: rate matrix prepared for exponentiation"""
Q = CalcDefn(self.calcQ, name='Q')(word_probs, mprobs_matrix, *rate_params)
expm = NonParamDefn('expm')
exp = ExpDefn(expm)
Qd = CallDefn(exp, Q, name='Qd')
return Qd
def _makeBinParamDefn(self, edge_par_name, bin_par_name, bprob_defn):
# if no ordered param defined, behaves as old, everything indexed by and edge
if edge_par_name not in self.partitioned_params:
return ParamDefn(dimensions=['bin'], name=bin_par_name)
if edge_par_name == self.ordered_param:
whole = self.distrib_class(bprob_defn, bin_par_name)
else:
# this forces them to average to one, but no forced order
# this means you can't force a param value to be shared across bins
# so 1st above approach has to be used
whole = WeightedPartitionDefn(bprob_defn, bin_par_name+'_partn')
whole.bin_names = bprob_defn.bin_names
return SelectForDimension(whole, 'bin', name=bin_par_name)
def makeRateParams(self, bprobs):
params = []
for param_name in self.parameter_order:
if bprobs is None or param_name not in self.partitioned_params:
defn = ParamDefn(param_name)
else:
e_defn = ParamDefn(param_name, dimensions=['edge', 'locus'])
# should be weighted by bprobs*rates not bprobs
b_defn = self._makeBinParamDefn(
param_name, param_name+'_factor', bprobs)
defn = ProductDefn(b_defn, e_defn, name=param_name+'_BE')
params.append(defn)
return params
def makeFundamentalParamControllerDefns(self, bin_names):
"""Everything one step short of the psubs, because cogent.align code
needs to handle Q*t itself."""
defns = self.makeParamControllerDefns(bin_names, endAtQd=True)
assert not 'length' in defns
defns['length'] = LengthDefn()
return defns
def makePsubsDefn(self, bprobs, word_probs, mprobs_matrix, rate_params):
distance = self.makeDistanceDefn(bprobs)
P = self.makeContinuousPsubDefn(word_probs, mprobs_matrix, distance, rate_params)
return P
def makeDistanceDefn(self, bprobs):
length = LengthDefn()
if self.with_rate and bprobs is not None:
b_rate = self._makeBinParamDefn('rate', 'rate', bprobs)
distance = ProductDefn(length, b_rate, name="distance")
else:
distance = length
return distance
def makeContinuousPsubDefn(self, word_probs, mprobs_matrix, distance, rate_params):
Qd = self.makeQdDefn(word_probs, mprobs_matrix, rate_params)
P = CallDefn(Qd, distance, name='psubs')
return P
class General(_ContinuousSubstitutionModel):
"""A continuous substitution model with one free parameter for each and
every possible instantaneous substitution."""
# k = self.param_pick[i,j], 0<=k<=N+1
# k==0: not instantaneous, should be 0.0 in Q
# k<=N: apply Kth exchangeability parameter
# k==N+1: no parameter, should be 1.0 in unscaled Q
#@extend_docstring_from(_ContinuousSubstitutionModel)
def __init__(self, alphabet, **kw):
_ContinuousSubstitutionModel.__init__(self, alphabet, **kw)
alphabet = self.getAlphabet() # as may be altered by recode_gaps etc.
mask = self._instantaneous_mask
N = len(alphabet)
self.param_pick = numpy.zeros([N,N], int)
self.parameter_order = []
for (i,x) in enumerate(alphabet):
for j in numpy.flatnonzero(mask[i]):
y = alphabet[j]
self.parameter_order.append('%s/%s'%(x,y))
self.param_pick[i,j] = len(self.parameter_order)
if self._do_scaling:
const_param = self.parameter_order.pop()
self.symmetric = False
self.checkParamsExist()
def calcExchangeabilityMatrix(self, mprobs, *params):
return numpy.array((0.0,)+params+(1.0,)).take(self.param_pick)
class GeneralStationary(_ContinuousSubstitutionModel):
"""A continuous substitution model with one free parameter for each and
every possible instantaneous substitution, except the last in each column.
As general as can be while still having stationary motif probabilities"""
#@extend_docstring_from(_ContinuousSubstitutionModel)
def __init__(self, alphabet, **kw):
_ContinuousSubstitutionModel.__init__(self, alphabet, **kw)
alphabet = self.getAlphabet() # as may be altered by recode_gaps etc.
mask = self._instantaneous_mask
N = len(alphabet)
self.param_pick = numpy.zeros([N,N], int)
self.parameter_order = []
self.last_in_column = []
for (d, (row, col)) in enumerate(zip(mask, mask.T)):
row = list(numpy.flatnonzero(row[d:])+d)
col = list(numpy.flatnonzero(col[d:])+d)
if col:
self.last_in_column.append((col.pop(), d))
else:
assert not row
inst = [(d,j) for j in row] + [(i,d) for i in col]
for (i, j) in inst:
(x,y) = [alphabet[k] for k in [i,j]]
self.parameter_order.append('%s/%s'%(x,y))
self.param_pick[i,j] = len(self.parameter_order)
if self._do_scaling:
const_param = self.parameter_order.pop()
self.symmetric = False
self.checkParamsExist()
def calcExchangeabilityMatrix(self, mprobs, *params):
R = numpy.array((0.0,)+params+(1.0,)).take(self.param_pick)
for (i,j) in self.last_in_column:
assert i > j
row_total = numpy.dot(mprobs, R[j])
col_total = numpy.dot(mprobs, R[:,j])
required = row_total - col_total
if required < 0.0:
raise ParameterOutOfBoundsError
R[i,j] = required / mprobs[i]
return R
class Empirical(_ContinuousSubstitutionModel):
"""A continuous substitution model with a predefined instantaneous rate
matrix."""
@extend_docstring_from(_ContinuousSubstitutionModel)
def __init__(self, alphabet, rate_matrix, **kw):
"""
- rate_matrix: The instantaneous rate matrix
"""
_ContinuousSubstitutionModel.__init__(self, alphabet, **kw)
alphabet = self.getAlphabet() # as may be altered by recode_gaps etc.
N = len(alphabet)
assert rate_matrix.shape == (N, N)
assert numpy.alltrue(numpy.diagonal(rate_matrix) == 0)
self._instantaneous_mask_f = rate_matrix * 1.0
self._instantaneous_mask = (self._instantaneous_mask_f != 0.0)
self.symmetric = _isSymmetrical(self._instantaneous_mask_f)
self.parameter_order = []
self.checkParamsExist()
def calcExchangeabilityMatrix(self, mprobs):
return self._instantaneous_mask_f.copy()
class SubstitutionModel(_ContinuousSubstitutionModel):
"""A continuous substitution model with only user-specified substitution
parameters."""
@extend_docstring_from(_ContinuousSubstitutionModel)
def __init__(self, alphabet, predicates=None, scales=None, **kw):
"""
- predicates: a dict of {name:predicate}. See cogent.evolve.predicate
- scales: scale rules, dict with predicates
"""
self._canned_predicates = None
_ContinuousSubstitutionModel.__init__(self, alphabet, **kw)
(predicate_masks, predicate_order) = self._adaptPredicates(predicates or [])
# Check for redundancy in predicates, ie: 1 or more than combine
# to be equivalent to 1 or more others, or the distance params.
# Give a clearer error in simple cases like always false or true.
for (name, matrix) in predicate_masks.items():
if numpy.alltrue((matrix == 0).flat):
raise ValueError("Predicate %s is always false." % name)
predicates_plus_scale = predicate_masks.copy()
predicates_plus_scale[None] = self._instantaneous_mask
if self._do_scaling:
for (name, matrix) in predicate_masks.items():
if numpy.alltrue((matrix == self._instantaneous_mask).flat):
raise ValueError("Predicate %s is always true." % name)
if redundancyInPredicateMasks(predicate_masks):
raise ValueError("Redundancy in predicates.")
if redundancyInPredicateMasks(predicates_plus_scale):
raise ValueError("Some combination of predicates is"
" equivalent to the overall rate parameter.")
else:
if redundancyInPredicateMasks(predicate_masks):
raise ValueError("Redundancy in predicates.")
if redundancyInPredicateMasks(predicates_plus_scale):
warnings.warn("do_scaling=True would be more efficient than"
" these overly general predicates")
self.predicate_masks = predicate_masks
self.parameter_order = []
self.predicate_indices = []
self.symmetric = _isSymmetrical(self._instantaneous_mask)
for pred in predicate_order:
mask = predicate_masks[pred]
if not _isSymmetrical(mask):
self.symmetric = False
indices = numpy.nonzero(mask)
assert numpy.alltrue(mask[indices] == 1)
self.parameter_order.append(pred)
self.predicate_indices.append(indices)
if not self.symmetric:
warnings.warn('Model not reversible')
(self.scale_masks, scale_order) = self._adaptPredicates(scales or [])
self.checkParamsExist()
def calcExchangeabilityMatrix(self, mprobs, *params):
assert len(params) == len(self.predicate_indices), self.parameter_order
R = self._instantaneous_mask_f.copy()
for (indices, par) in zip(self.predicate_indices, params):
R[indices] *= par
return R
def asciiArt(self, delim='', delim2='|', max_width=70):
"""An ASCII-art table representing the model. 'delim' delimits
parameter names, 'delim2' delimits motifs"""
# Should be implemented with table module instead.
pars = self.getMatrixParams()
par_names = self.getParamList()
longest = max([len(name) for name in (par_names+[' '])])
if delim:
all_names_len = _maxWidthIfTruncated(pars, delim, 100)
min_names_len = _maxWidthIfTruncated(pars, delim, 1)
else:
all_names_len = sum([len(name) for name in par_names])
min_names_len = len(par_names)
# Find a width-per-motif that is as big as can be without being too big
w = min_names_len
while (w+1) * len(self.alphabet) < max_width and w < all_names_len:
w += 1
# If not enough width truncate parameter names
if w < all_names_len:
each = w / len(par_names)
if delim:
while _maxWidthIfTruncated(pars, delim, each+1) <= w:
each += 1
w = _maxWidthIfTruncated(pars, delim, each)
else:
w = each * len(par_names)
else:
each = longest
rows = []
# Only show header if there is enough width for the motifs
if self.alphabet.getMotifLen() <= w:
header = [str(motif).center(w) for motif in self.alphabet]
header = [' ' * self.alphabet.getMotifLen() + ' '] + header + ['']
header = delim2.join(header)
rows.append(header)
rows.append(''.join([['-',delim2][c == delim2] for c in header]))
# pars in sub-cols, should also offer pars in sub-rows?
for (motif, row2) in zip(self.alphabet, pars):
row = []
for par_list in row2:
elt = []
for par in par_names:
if par not in par_list:
par = ''
par = par[:each]
if not delim:
par = par.ljust(each)
if par:
elt.append(par)
elt = delim.join(elt).ljust(w)
row.append(elt)
rows.append(delim2.join(([motif+' '] + row + [''])))
return '\n'.join(rows)
def getMatrixParams(self):
"""Return the parameter assignment matrix."""
dim = len(self.alphabet)
Pars = numpy.zeros([dim, dim], object)
for x, y in [(x, y) for x in range(dim) for y in range(dim)]:
Pars[x][y] = [] # a limitation of numpy. [x,y] = [] fails!
if not self._instantaneous_mask[x, y]:
continue
for par in self.predicate_masks:
if self.predicate_masks[par][x, y]:
Pars[x, y].append(par)
# sort the matrix entry to facilitate scaling calculations
Pars[x, y].sort()
return Pars
def getParamList(self):
"""Return a list of parameter names."""
return self.predicate_masks.keys()
def isInstantaneous(self, x, y):
return self._isInstantaneous(x, y)
def getSubstitutionRateValueFromQ(self, Q, motif_probs, pred):
pred_mask = self._adaptPredicates([pred])[0].values()[0]
pred_row_totals = numpy.sum(pred_mask * Q, axis=1)
inst_row_totals = numpy.sum(self._instantaneous_mask * Q, axis=1)
r = sum(pred_row_totals * motif_probs)
t = sum(inst_row_totals * motif_probs)
pred_size = numpy.sum(pred_mask.flat)
inst_size = sum(self._instantaneous_mask.flat)
return (r / pred_size) / ((t-r) / (inst_size-pred_size))
def getScaledLengthsFromQ(self, Q, motif_probs, length):
lengths = {}
for rule in self.scale_masks:
lengths[rule] = length * self.getScaleFromQs(
[Q], [1.0], motif_probs, rule)
return lengths
def getScaleFromQs(self, Qs, bin_probs, motif_probss, rule):
rule = self.getPredicateMask(rule)
weighted_scale = 0.0
bin_probs = numpy.asarray(bin_probs)
for (Q, bin_prob, motif_probs) in zip(Qs, bin_probs, motif_probss):
row_totals = numpy.sum(rule * Q, axis=1)
motif_probs = numpy.asarray(motif_probs)
word_probs = self.calcWordProbs(motif_probs)
scale = sum(row_totals * word_probs)
weighted_scale += bin_prob * scale
return weighted_scale
def getPredefinedPredicates(self):
# overridden in subclasses
return {'indel': predicate.parse('-/?')}
def getPredefinedPredicate(self, name):
# Called by predicate parsing code
if self._canned_predicates is None:
self._canned_predicates = self.getPredefinedPredicates()
return self._canned_predicates[name].interpret(self)
def _adaptPredicates(self, rules):
# dict or list of callables, predicate objects or predicate strings
if isinstance(rules, dict):
rules = rules.items()
else:
rules = [(None, rule) for rule in rules]
predicate_masks = {}
order = []
for (key, pred) in rules:
(label, mask) = self.adaptPredicate(pred, key)
if label in predicate_masks:
raise KeyError('Duplicate predicate name "%s"' % label)
predicate_masks[label] = mask
order.append(label)
return predicate_masks, order
def adaptPredicate(self, pred, label=None):
if isinstance(pred, str):
pred = predicate.parse(pred)
elif callable(pred):
pred = predicate.UserPredicate(pred)
pred_func = pred.makeModelPredicate(self)
label = label or repr(pred)
mask = predicate2matrix(
self.getAlphabet(), pred_func, mask=self._instantaneous_mask)
return (label, mask)
def getPredicateMask(self, pred):
if pred in self.scale_masks:
mask = self.scale_masks[pred]
elif pred in self.predicate_masks:
mask = self.predicate_masks[pred]
else:
(label, mask) = self.adaptPredicate(pred)
return mask
class _Nucleotide(SubstitutionModel):
def getPredefinedPredicates(self):
return {
'transition' : predicate.parse('R/R') | predicate.parse('Y/Y'),
'transversion' : predicate.parse('R/Y'),
'indel': predicate.parse('-/?'),
}
class Nucleotide(_Nucleotide):
"""A nucleotide substitution model."""
def __init__(self, **kw):
SubstitutionModel.__init__(self, moltype.DNA.Alphabet, **kw)
class Dinucleotide(_Nucleotide):
"""A nucleotide substitution model."""
def __init__(self, **kw):
SubstitutionModel.__init__(self, moltype.DNA.Alphabet, motif_length=2, **kw)
class Protein(SubstitutionModel):
"""Base protein substitution model."""
def __init__(self, with_selenocysteine=False, **kw):
alph = moltype.PROTEIN.Alphabet
if not with_selenocysteine:
alph = alph.getSubset('U', excluded=True)
SubstitutionModel.__init__(self, alph, **kw)
def EmpiricalProteinMatrix(matrix, motif_probs=None, optimise_motif_probs=False,
recode_gaps=True, do_scaling=True, **kw):
alph = moltype.PROTEIN.Alphabet.getSubset('U', excluded=True)
return Empirical(alph, rate_matrix=matrix, motif_probs=motif_probs,
model_gaps=False, recode_gaps=recode_gaps, do_scaling=do_scaling,
optimise_motif_probs=optimise_motif_probs, **kw)
class Codon(_Nucleotide):
"""Core substitution model for codons"""
long_indels_are_instantaneous = True
def __init__(self, alphabet=None, gc=None, **kw):
if gc is not None:
alphabet = moltype.CodonAlphabet(gc = gc)
alphabet = alphabet or moltype.STANDARD_CODON
SubstitutionModel.__init__(self, alphabet, **kw)
def _isInstantaneous(self, x, y):
if x == self.gapmotif or y == self.gapmotif:
return x != y
else:
ndiffs = sum([X!=Y for (X,Y) in zip(x,y)])
return ndiffs == 1
def getPredefinedPredicates(self):
gc = self.getAlphabet().getGeneticCode()
def silent(x, y):
return x != '---' and y != '---' and gc[x] == gc[y]
def replacement(x, y):
return x != '---' and y != '---' and gc[x] != gc[y]
preds = _Nucleotide.getPredefinedPredicates(self)
preds.update({
'indel' : predicate.parse('???/---'),
'silent' : predicate.UserPredicate(silent),
'replacement' : predicate.UserPredicate(replacement),
})
return preds
|