allpy: allpy/base.py annotate

allpy

annotate allpy/base.py @ 320:e844812cccc4

Trivial fixes in allpy.base.Block

author	Daniil Alexeyevsky <me.dendik@gmail.com>
date	Fri, 17 Dec 2010 00:25:46 +0300
parents	91cda062c6f6
children	05983300140a

rev	line source
me@261	1 import sys
me@261	2
me@315	3 import util
me@284	4 import fasta
me@260	5 import data.codes
me@260	6
me@306	7 default_gaps = set((".", "-", "~"))
me@306	8 """Set of characters to recoginze as gaps when parsing alignment."""
me@306	9
me@260	10 class MonomerType(object):
me@260	11 """Class of monomer types.
me@260	12
me@260	13 Each MonomerType object represents a known monomer type, e.g. Valine,
me@260	14 and is referenced to by each instance of monomer in a given sequence.
me@260	15
me@260	16 - `name`: full name of monomer type
me@260	17 - `code1`: one-letter code
me@260	18 - `code3`: three-letter code
me@260	19 - `is_modified`: either of True or False
me@260	20
me@260	21 class atributes:
me@260	22
me@260	23 - `by_code1`: a mapping from one-letter code to MonomerType object
me@260	24 - `by_code3`: a mapping from three-letter code to MonomerType object
me@260	25 - `by_name`: a mapping from monomer name to MonomerType object
me@260	26 - `instance_type`: class of Monomer objects to use when creating new
me@260	27 objects; this must be redefined in descendent classes
me@260	28
me@260	29 All of the class attributes MUST be redefined when subclassing.
me@260	30 """
me@260	31
me@260	32 by_code1 = {}
me@260	33 by_code3 = {}
me@260	34 by_name = {}
me@260	35 instance_type = None
me@260	36
me@260	37 def __init__(self, name="", code1="", code3="", is_modified=False):
me@310	38 super(MonomerType, self).__init__()
me@260	39 self.name = name.capitalize()
me@260	40 self.code1 = code1.upper()
me@260	41 self.code3 = code3.upper()
me@260	42 self.is_modified = bool(is_modified)
me@260	43 if not is_modified:
me@260	44 self.by_code1[self.code1] = self
me@260	45 self.by_code3[code3] = self
me@260	46 self.by_name[name] = self
me@260	47 # We duplicate distinguished long names into MonomerType itself,
me@260	48 # so that we can use MonomerType.from_code3 to create the relevant
me@260	49 # type of monomer.
me@260	50 MonomerType.by_code3[code3] = self
me@260	51 MonomerType.by_name[name] = self
me@260	52
me@260	53 @classmethod
me@260	54 def _initialize(cls, type_letter, codes=data.codes.codes):
me@260	55 """Create all relevant instances of MonomerType.
me@260	56
me@260	57 `type_letter` is either of:
me@260	58
me@260	59 - 'p' for protein
me@260	60 - 'd' for DNA
me@260	61 - 'r' for RNA
me@260	62
me@260	63 `codes` is a table of monomer codes
me@260	64 """
me@260	65 for type, code1, is_modified, code3, name in codes:
me@260	66 if type == type_letter:
me@260	67 cls(name, code1, code3, is_modified)
me@260	68
me@260	69 @classmethod
me@260	70 def from_code1(cls, code1):
me@260	71 """Return monomer type by one-letter code."""
me@260	72 return cls.by_code1[code1.upper()]
me@260	73
me@260	74 @classmethod
me@260	75 def from_code3(cls, code3):
me@260	76 """Return monomer type by three-letter code."""
me@260	77 return cls.by_code3[code3.upper()]
me@260	78
me@260	79 @classmethod
me@260	80 def from_name(cls, name):
me@260	81 """Return monomer type by name."""
me@260	82 return cls.by_name[name.capitalize()]
me@260	83
me@260	84 def instance(self):
me@260	85 """Create a new monomer of given type."""
me@260	86 return self.instance_type(self)
me@260	87
me@260	88 def __eq__(self, other):
me@260	89 if hasattr(other, "type"):
me@260	90 return self is other.type
me@260	91 return self is other
me@260	92
me@260	93 class Monomer(object):
me@260	94 """Monomer object.
me@260	95
me@260	96 attributes:
me@260	97
me@260	98 - `type`: type of monomer (a MonomerType object)
me@260	99
me@282	100 class attributes:
me@282	101
me@282	102 - `monomer_type`: either MonomerType or one of it's subclasses, it is used
me@282	103 when creating new monomers. It SHOULD be redefined when subclassing
me@282	104 Monomer.
me@260	105 """
me@260	106 monomer_type = MonomerType
me@260	107
me@260	108 def __init__(self, type):
me@310	109 super(Monomer, self).__init__()
me@260	110 self.type = type
me@260	111
me@260	112 @classmethod
me@260	113 def from_code1(cls, code1):
me@260	114 return cls(cls.monomer_type.by_code1[code1.upper()])
me@260	115
me@260	116 @classmethod
me@260	117 def from_code3(cls, code3):
me@260	118 return cls(cls.monomer_type.by_code3[code3.upper()])
me@260	119
me@260	120 @classmethod
me@260	121 def from_name(cls, name):
me@260	122 return cls(cls.monomer_type.by_name[name.capitalize()])
me@260	123
me@260	124 def __eq__(self, other):
me@260	125 if hasattr(other, "type"):
me@260	126 return self.type is other.type
me@260	127 return self.type is other
bnagaev@239	128
bnagaev@239	129 class Sequence(list):
me@274	130 """Sequence of Monomers.
bnagaev@243	131
me@274	132 This behaves like list of monomer objects. In addition to standard list
me@274	133 behaviour, Sequence has the following attributes:
me@270	134
me@274	135 * name -- str with the name of the sequence
me@274	136 * description -- str with description of the sequence
me@274	137 * source -- str denoting source of the sequence
me@266	138
me@274	139 Any of them may be empty (i.e. hold empty string)
me@275	140
me@275	141 Class attributes:
me@282	142
me@275	143 * monomer_type -- type of monomers in sequence, must be redefined when
me@275	144 subclassing
me@274	145 """
me@270	146
me@275	147 monomer_type = Monomer
me@270	148
me@275	149 name = ''
me@275	150 description = ''
me@275	151 source = ''
me@275	152
me@275	153 def __init__(self, sequence=[], name=None, description=None, source=None):
me@275	154 super(Sequence, self).__init__(sequence)
me@275	155 if hasattr(sequence, 'name'):
me@275	156 vars(self).update(vars(sequence))
me@275	157 if name:
me@275	158 self.name = name
me@275	159 if description:
me@275	160 self.description = description
me@275	161 if source:
me@275	162 self.source = source
me@270	163
me@262	164 def __str__(self):
me@275	165 """Returns sequence in one-letter code."""
me@275	166 return ''.join(monomer.code1 for monomer in self)
me@270	167
me@316	168 def __hash__(self):
me@316	169 """Hash sequence by identity."""
me@316	170 return id(self)
me@316	171
me@273	172 @classmethod
me@273	173 def from_string(cls, string, name='', description=''):
me@273	174 """Create sequences from string of one-letter codes."""
me@273	175 monomer = cls.monomer_type.from_code1
me@273	176 monomers = [monomer(letter) for letter in string]
me@273	177 return cls(monomers, name, description)
me@262	178
me@284	179 @classmethod
me@284	180 def from_fasta(cls, file):
me@284	181 """Read sequence from FASTA file.
me@286	182
me@284	183 File must contain exactly one sequence.
me@284	184 """
me@313	185 sequence, = fasta.parse_file(file)
me@313	186 name, description, body = sequence
me@313	187 return cls(body, name, description, file.name)
me@284	188
me@295	189 class Alignment(object):
me@295	190 """Alignment. It is a list of Columns."""
bnagaev@249	191
me@287	192 sequence_type = Sequence
me@289	193 """Type of sequences in alignment. SHOULD be redefined when subclassing."""
me@288	194
me@289	195 sequences = None
me@289	196 """Ordered list of sequences in alignment. Read, but DO NOT FIDDLE!"""
bnagaev@249	197
me@287	198 def __init__(self):
me@287	199 """Initialize empty alignment."""
me@287	200 super(Alignment, self).__init__()
me@287	201 self.sequences = []
me@295	202 self.columns = []
me@282	203
me@299	204 # Alignment modification methods
me@299	205 # ==============================
me@299	206
me@294	207 def append_sequence(self, sequence):
me@294	208 """Add sequence to alignment.
me@294	209
me@294	210 If sequence is too short, pad it with gaps on the right.
me@294	211 """
me@294	212 self.sequences.append(sequence)
me@294	213 for i, monomer in enumerate(sequence):
me@302	214 self.column_at(i)[sequence] = monomer
me@294	215
me@306	216 def append_gapped_line(self, line, name='', description='', source='',
me@306	217 gaps=default_gaps):
me@287	218 """Add row from a line of one-letter codes and gaps."""
me@313	219 Sequence = self.sequence_type
me@306	220 not_gap = lambda (i, char): char not in gaps
me@306	221 without_gaps = util.remove_each(line, gaps)
me@306	222 sequence = Sequence(without_gaps, name, description, source)
me@303	223 # The following line has some simple magic:
me@303	224 # 1. attach natural numbers to monomers
me@303	225 # 2. delete gaps
me@303	226 # 3. attach numbers again
me@303	227 # This way we have a pair of numbers attached to monomer:
me@303	228 # - it's position in alignment (the first attached number, j)
me@303	229 # - it's position in sequence (the second attached number, i)
me@287	230 for i, (j, char) in enumerate(filter(not_gap, enumerate(line))):
me@313	231 self.column_at(j)[sequence] = sequence[i]
me@287	232 self.sequences.append(sequence)
me@287	233
me@302	234 def column_at(self, n):
me@302	235 """Return column by index. Create required new columns if required.
me@302	236
me@302	237 Do NOT use this method, unless you are sure it is what you want.
me@302	238 """
me@302	239 for i in range(len(self.columns), n + 1):
me@302	240 self.columns.append(Column())
me@302	241 return self.columns[n]
me@302	242
me@299	243 # Alignment IO methods
me@299	244 # ====================
me@299	245
me@287	246 @classmethod
me@306	247 def from_fasta(cls, file, gaps=default_gaps):
me@287	248 """Create new alignment from FASTA file."""
me@287	249 self = cls()
me@313	250 for (name, description, body) in fasta.parse_file(file):
me@306	251 self.append_gapped_line(body, name, description, gaps)
me@287	252 return self
bnagaev@249	253
me@292	254 def to_fasta(self, file):
me@292	255 """Write alignment in FASTA file as sequences with gaps."""
me@292	256 def char(monomer):
me@292	257 if monomer:
me@292	258 return monomer.code1
me@292	259 return "-"
me@292	260 for row in self.rows_as_lists():
me@292	261 seq = row.sequence
me@292	262 line = "".join(map(char, row))
me@292	263 fasta.save_file(file, line, seq.name, seq.description)
me@292	264
me@299	265 # Data access methods for alignment
me@299	266 # =================================
me@299	267
me@299	268 def rows(self):
me@299	269 """Return list of rows (temporary objects) in alignment.
me@299	270
me@299	271 Each row is a dictionary of { column : monomer }.
me@299	272
me@299	273 For gap positions there is no key for the column in row.
me@299	274
me@299	275 Each row has attribute `sequence` pointing to the sequence the row is
me@299	276 describing.
me@299	277
me@299	278 Modifications of row have no effect on the alignment.
me@299	279 """
me@299	280 # For now, the function returns a list rather than iterator.
me@299	281 # It is yet to see, whether memory performance here becomes critical,
me@299	282 # or is random access useful.
me@299	283 rows = []
me@299	284 for sequence in self.sequences:
me@299	285 row = util.UserDict()
me@299	286 row.sequence = sequence
me@299	287 for column in self.columns:
me@299	288 if sequence in column:
me@299	289 row[column] = column[sequence]
me@299	290 rows.append(row)
me@299	291 return rows
me@299	292
me@299	293 def rows_as_lists(self):
me@299	294 """Return list of rows (temporary objects) in alignment.
me@299	295
me@299	296 Each row here is a list of either monomer or None (for gaps).
me@299	297
me@299	298 Each row has attribute `sequence` pointing to the sequence of row.
me@299	299
me@299	300 Modifications of row have no effect on the alignment.
me@299	301 """
me@299	302 rows = []
me@299	303 for sequence in self.sequences:
me@299	304 row = util.UserList()
me@299	305 row.sequence = sequence
me@299	306 for column in self.columns:
me@299	307 row.append(column.get(sequence))
me@299	308 rows.append(row)
me@299	309 return rows
me@299	310
me@299	311 def columns_as_lists(self):
me@299	312 """Return list of columns (temorary objects) in alignment.
me@299	313
me@299	314 Each column here is a list of either monomer or None (for gaps).
me@299	315
me@299	316 Items of column are sorted in the same way as alignment.sequences.
me@299	317
me@299	318 Modifications of column have no effect on the alignment.
me@299	319 """
me@299	320 columns = []
me@299	321 for column in self.columns:
me@299	322 col = []
me@299	323 for sequence in self.sequences:
me@299	324 col.append(column.get(sequence))
me@299	325 columns.append(col)
me@299	326 return columns
me@299	327
me@300	328 class Column(dict):
me@300	329 """Column of alignment.
me@300	330
me@300	331 Column is a dict of { sequence : monomer }.
me@300	332
me@300	333 For sequences that have gaps in current row, given key is not present in
me@300	334 the column.
me@300	335 """
me@300	336 pass
me@300	337
me@317	338 class Block(Alignment):
me@307	339 """Block of alignment.
me@301	340
me@307	341 Block is intersection of a set of columns & a set of rows. Most of blocks
me@307	342 look like rectangular part of alignment if you shuffle alignment rows the
me@307	343 right way.
me@261	344 """
me@270	345
me@307	346 alignment = None
me@307	347 """Alignment the block belongs to."""
me@270	348
me@307	349 sequences = ()
me@307	350 """List of sequences in block."""
me@307	351
me@307	352 columns = ()
me@307	353 """List of columns in block."""
me@307	354
me@317	355 @classmethod
me@317	356 def from_alignment(cls, alignment, sequences=None, columns=None):
me@307	357 """Build new block from alignment.
me@307	358
me@307	359 If sequences are not given, the block uses all sequences in alignment.
me@307	360
me@307	361 If columns are not given, the block uses all columns in alignment.
me@307	362
me@307	363 In both cases we use exactly the list used in alignment, thus, if new
me@307	364 sequences or columns are added to alignment, the block tracks this too.
me@261	365 """
me@307	366 if sequences is None:
me@307	367 sequences = alignment.sequences
me@318	368 if columns is None:
me@307	369 columns = alignment.columns
me@320	370 block = cls()
me@320	371 block.alignment = alignment
me@320	372 block.sequences = sequences
me@320	373 block.columns = columns
me@320	374 return block
me@270	375
me@312	376 def flush_left(self):
me@312	377 """Move all monomers to the left, gaps to the right within block."""
me@312	378 padding = [None] * len(self.columns)
me@312	379 for row in self.rows_as_lists():
me@312	380 sequence = row.sequence
me@312	381 row = filter(None, row) + padding
me@312	382 for monomer, column in zip(row, self.columns):
me@312	383 if monomer:
me@312	384 column[sequence] = monomer
me@312	385 elif sequence in column:
me@312	386 del column[sequence]
me@312	387
me@312	388
me@260	389 # vim: set ts=4 sts=4 sw=4 et: