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
|
"""
Support for scoring alignments using arbitrary scoring matrices, arbitrary
alphabets, and affine gap penalties.
"""
from numpy import (
float32,
int32,
ones,
zeros,
)
class ScoringScheme:
# note that gap_open and gap_extend are penalties, which means you should make them positive
def __init__(
self,
gap_open,
gap_extend,
default=-100,
alphabet1="ACGT",
alphabet2=None,
gap1="-",
gap2=None,
text1_range=128,
text2_range=None,
typecode=int32,
):
if text2_range is None:
text2_range = text1_range
if alphabet2 is None:
alphabet2 = alphabet1
if gap2 is None:
gap2 = gap1 # (scheme with gap1=gap2=None is legit)
if isinstance(alphabet1, str):
alphabet1 = list(alphabet1)
if isinstance(alphabet2, str):
alphabet2 = list(alphabet2)
self.table = ones((text1_range, text2_range), typecode)
self.table *= default
self.gap_open = gap_open
self.gap_extend = gap_extend
self.gap1 = gap1
self.gap2 = gap2
self.alphabet1 = alphabet1
self.alphabet2 = alphabet2
# private _set_score and _get_score allow subclasses to override them to
# implement a different underlying table object
def _set_score(self, a_b_pair, val):
(a, b) = a_b_pair
self.table[a, b] = val
def _get_score(self, a_b_pair):
(a, b) = a_b_pair
return self.table[a, b]
def set_score(self, a, b, val, foldcase1=False, foldcase2=False):
self._set_score((a, b), val)
if foldcase1:
aCh = chr(a)
if aCh.isupper():
aa = ord(aCh.lower())
elif aCh.islower():
aa = ord(aCh.upper())
else:
foldcase1 = False
if foldcase2:
bCh = chr(b)
if bCh.isupper():
bb = ord(bCh.lower())
elif bCh.islower():
bb = ord(bCh.upper())
else:
foldcase2 = False
if foldcase1 and foldcase2:
self._set_score((aa, b), val)
self._set_score((a, bb), val)
self._set_score((aa, bb), val)
elif foldcase1:
self._set_score((aa, b), val)
elif foldcase2:
self._set_score((a, bb), val)
def score_alignment(self, a):
return score_alignment(self, a)
def score_texts(self, text1, text2):
return score_texts(self, text1, text2)
def __str__(self):
isDna1 = "".join(self.alphabet1) == "ACGT"
isDna2 = "".join(self.alphabet2) == "ACGT"
labelRows = not (isDna1 and isDna2)
width = 3
for a in self.alphabet1:
for b in self.alphabet2:
score = self._get_score((ord(a), ord(b)))
if isinstance(score, float):
s = f"{score:8.6f}"
else:
s = f"{score}"
if len(s) + 1 > width:
width = len(s) + 1
lines = []
line = []
if labelRows:
if isDna1:
line.append(" ")
else:
line.append(" ")
for b in self.alphabet2:
if isDna2:
s = b
else:
s = f"{ord(b):02X}"
line.append("%*s" % (width, s))
lines.append(("".join(line)) + "\n")
for a in self.alphabet1:
line = []
if labelRows:
if isDna1:
line.append(a)
else:
line.append(f"{ord(a):02X}")
for b in self.alphabet2:
score = self._get_score((ord(a), ord(b)))
if isinstance(score, float):
s = f"{score:8.6f}"
else:
s = f"{score}"
line.append("%*s" % (width, s))
lines.append(("".join(line)) + "\n")
return "".join(lines)
def read_scoring_scheme(f, gap_open, gap_extend, gap1="-", gap2=None, **kwargs):
"""
Initialize scoring scheme from a file containint a blastz style text blob.
f can be either a file or the name of a file.
"""
close_it = False
if isinstance(f, str):
f = open(f)
close_it = True
ss = build_scoring_scheme("".join(list(f)), gap_open, gap_extend, gap1=gap1, gap2=gap2, **kwargs)
if close_it:
f.close()
return ss
def build_scoring_scheme(s, gap_open, gap_extend, gap1="-", gap2=None, **kwargs):
"""
Initialize scoring scheme from a blastz style text blob, first line
specifies the bases for each row/col, subsequent lines contain the
corresponding scores. Slaw extensions allow for unusual and/or
asymmetric alphabets. Symbols can be two digit hex, and each row
begins with symbol. Note that a row corresponds to a symbol in text1
and a column to a symbol in text2.
examples:
blastz slaw
A C G T 01 02 A C G T
91 -114 -31 -123 01 200 -200 -50 100 -50 100
-114 100 -125 -31 02 -200 200 100 -50 100 -50
-31 -125 100 -114
-123 -31 -114 91
"""
# perform initial parse to determine alphabets and locate scores
bad_matrix = "invalid scoring matrix"
s = s.rstrip("\n")
lines = s.split("\n")
rows = []
symbols2 = lines.pop(0).split()
symbols1 = None
rows_have_syms = False
a_la_blastz = True
for i, line in enumerate(lines):
row_scores = line.split()
if len(row_scores) == len(symbols2): # blastz-style row
if symbols1 is None:
if len(lines) != len(symbols2):
raise bad_matrix
symbols1 = symbols2
elif rows_have_syms:
raise bad_matrix
elif len(row_scores) == len(symbols2) + 1: # row starts with symbol
if symbols1 is None:
symbols1 = []
rows_have_syms = True
a_la_blastz = False
elif not rows_have_syms:
raise bad_matrix
symbols1.append(row_scores.pop(0))
else:
raise bad_matrix
rows.append(row_scores)
# convert alphabets from strings to characters
try:
alphabet1 = [sym_to_char(sym) for sym in symbols1]
alphabet2 = [sym_to_char(sym) for sym in symbols2]
except ValueError:
raise bad_matrix
if (alphabet1 != symbols1) or (alphabet2 != symbols2):
a_la_blastz = False
if a_la_blastz:
alphabet1 = [ch.upper() for ch in alphabet1]
alphabet2 = [ch.upper() for ch in alphabet2]
# decide if rows and/or columns should reflect case
if a_la_blastz:
foldcase1 = foldcase2 = True
else:
foldcase1 = "".join(alphabet1) == "ACGT"
foldcase2 = "".join(alphabet2) == "ACGT"
# create appropriately sized matrix
text1_range = text2_range = 128
if ord(max(alphabet1)) >= 128:
text1_range = 256
if ord(max(alphabet2)) >= 128:
text2_range = 256
typecode = int32
for i, row_scores in enumerate(rows):
for j, score in enumerate(map(int_or_float, row_scores)):
if isinstance(score, float):
typecode = float32
if isinstance(gap_open, float):
typecode = float32
if isinstance(gap_extend, float):
typecode = float32
ss = ScoringScheme(
gap_open,
gap_extend,
alphabet1=alphabet1,
alphabet2=alphabet2,
gap1=gap1,
gap2=gap2,
text1_range=text1_range,
text2_range=text2_range,
typecode=typecode,
**kwargs,
)
# fill matrix
for i, row_scores in enumerate(rows):
for j, score in enumerate(map(int_or_float, row_scores)):
ss.set_score(ord(alphabet1[i]), ord(alphabet2[j]), score)
if foldcase1 and foldcase2:
ss.set_score(ord(alphabet1[i].lower()), ord(alphabet2[j].upper()), score)
ss.set_score(ord(alphabet1[i].upper()), ord(alphabet2[j].lower()), score)
ss.set_score(ord(alphabet1[i].lower()), ord(alphabet2[j].lower()), score)
elif foldcase1:
ss.set_score(ord(alphabet1[i].lower()), ord(alphabet2[j]), score)
elif foldcase2:
ss.set_score(ord(alphabet1[i]), ord(alphabet2[j].lower()), score)
return ss
def int_or_float(s):
try:
return int(s)
except ValueError:
return float(s)
# convert possible two-char symbol to a single character
def sym_to_char(sym):
if len(sym) == 1:
return sym
elif len(sym) != 2:
raise ValueError
else:
return chr(int(sym, base=16))
def score_alignment(scoring_scheme, a):
score = 0
ncomps = len(a.components)
for i in range(ncomps):
for j in range(i + 1, ncomps):
score += score_texts(scoring_scheme, a.components[i].text, a.components[j].text)
return score
def score_texts(scoring_scheme, text1, text2):
rval = 0
last_gap_a = last_gap_b = False
for i in range(len(text1)):
a = text1[i]
b = text2[i]
# Ignore gap/gap pair
if a == scoring_scheme.gap1 and b == scoring_scheme.gap2:
continue
# Gap in first species
elif a == scoring_scheme.gap1:
rval -= scoring_scheme.gap_extend
if not last_gap_a:
rval -= scoring_scheme.gap_open
last_gap_a = True
last_gap_b = False
# Gap in second species
elif b == scoring_scheme.gap2:
rval -= scoring_scheme.gap_extend
if not last_gap_b:
rval -= scoring_scheme.gap_open
last_gap_a = False
last_gap_b = True
# Aligned base
else:
rval += scoring_scheme._get_score((ord(a), ord(b)))
last_gap_a = last_gap_b = False
return rval
def accumulate_scores(scoring_scheme, text1, text2, skip_ref_gaps=False):
"""
Return cumulative scores for each position in alignment as a 1d array.
If `skip_ref_gaps` is False positions in returned array correspond to each
column in alignment, if True they correspond to each non-gap position (each
base) in text1.
"""
if skip_ref_gaps:
rval = zeros(len(text1) - text1.count(scoring_scheme.gap1))
else:
rval = zeros(len(text1))
score = 0
pos = 0
last_gap_a = last_gap_b = False
for i in range(len(text1)):
a = text1[i]
b = text2[i]
# Ignore gap/gap pair
if a == scoring_scheme.gap1 and b == scoring_scheme.gap2:
continue
# Gap in first species
elif a == scoring_scheme.gap1:
score -= scoring_scheme.gap_extend
if not last_gap_a:
score -= scoring_scheme.gap_open
last_gap_a = True
last_gap_b = False
# Gap in second species
elif b == scoring_scheme.gap2:
score -= scoring_scheme.gap_extend
if not last_gap_b:
score -= scoring_scheme.gap_open
last_gap_a = False
last_gap_b = True
# Aligned base
else:
score += scoring_scheme._get_score((ord(a), ord(b)))
last_gap_a = last_gap_b = False
if not (skip_ref_gaps) or a != scoring_scheme.gap1:
rval[pos] = score
pos += 1
return rval
hox70 = build_scoring_scheme(
""" A C G T
91 -114 -31 -123
-114 100 -125 -31
-31 -125 100 -114
-123 -31 -114 91 """,
400,
30,
)
|