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fastaai_query.py
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1079 lines (829 loc) · 35 KB
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import sys
import os
import sqlite3
import numpy as np
from supports.metadata_loader import fastaai_metadata_loader
import multiprocessing
from multiprocessing.managers import SharedMemoryManager
from multiprocessing.shared_memory import SharedMemory
import ctypes
import datetime
import time
import json
import argparse
#Creates vectors organized as genome: acc: tetras
class fastaai_db_query:
def __init__(self, dbpath):
self.path = dbpath
self.conn = None
self.curs = None
self.accessions = None
self.metadata = None
self.accession_index = None
self.genome_index = None
self.reverse_gix = None
self.reverse_acc = None
self.gak = None
self.gas = None
self.start_index = 0
self.starts_by_genome = None
self.ends_by_genome = None
self.starts_within_genome = None
self.ends_within_genome = None
self.genome_record = None
self.recovered_accessions = None
self.genome_tax = None
self.genlens = None
def open(self):
if self.conn is None:
self.conn = sqlite3.connect(self.path)
self.curs = self.conn.cursor()
def close(self):
if self.conn is not None:
self.curs.close()
self.conn.close()
self.conn = None
self.curs = None
def get_meta(self):
'''
#metadata contents
#scp metadata
self.scp_name_to_id = None
self.scp_id_to_name = None
self.scp_id_to_model = None
self.next_scp_id = 0
#Genome-level data
self.gix = None
self.reverse_gix = None
self.next_genid = 0
self.gen_classes = None
self.genome_tax = None
self.genlens = None
self.prot_counts = None
self.gak = None
'''
self.metadata = fastaai_metadata_loader(self.path)
self.metadata.load_meta(skip_gak = False)
#Query genomes are reclassified against the target.
#self.gen_classes = self.metadata.genome_classes
self.genlens = self.metadata.genlens
self.genome_tax = self.metadata.gen_tax
self.gak = self.metadata.gak #kmer counts
self.gas = self.metadata.gas #hmm scores
self.accession_index = self.metadata.scp_name_to_id
self.genome_index = self.metadata.gix
self.reverse_gix = self.metadata.reverse_gix
self.reverse_acc = self.metadata.scp_id_to_name
self.recovered_accessions = self.metadata.recovered_accessions
def load_accessions_by_group(self, accessions = [], low_high_tups = None):
self.starts_within_genome = {}
self.ends_within_genome = {}
self.genome_record = {}
self.recovered_accessions = {}
if low_high_tups is None:
low_high_tups = [(0, len(self.genome_index),)]
for lh in low_high_tups:
low_bound = lh[0]
high_bound = lh[1]
lh_key = "query_"+str(low_bound)+"_to_"+str(high_bound)
self.starts_within_genome[lh_key] = {}
self.ends_within_genome[lh_key] = {}
self.genome_record[lh_key] = []
self.recovered_accessions[lh_key] = []
self.load_accessions(accessions, low_bound, high_bound, lh_key)
def load_accessions(self, acc_list = [], genome_range_low = 0, genome_range_high = None, group_key = None):
self.start_index = 0
recovered_data = {}
for acc in acc_list:
next_chunk = self.load_one_accession_genomes(acc, genome_range_low, genome_range_high, group_key)
if next_chunk is not None:
for g in next_chunk:
if g not in recovered_data:
recovered_data[g] = {}
recovered_data[g][acc] = next_chunk[g]
big_boi = []
start_index = 0
self.starts_within_genome[group_key] = {}
self.ends_within_genome[group_key] = {}
for genome in recovered_data:
self.starts_within_genome[group_key][genome] = {}
self.ends_within_genome[group_key][genome] = {}
for acc in recovered_data[genome]:
self.starts_within_genome[group_key][genome][acc] = start_index
start_index += recovered_data[genome][acc].shape[0]
big_boi.append(recovered_data[genome][acc])
self.ends_within_genome[group_key][genome][acc] = start_index
recovered_data[genome][acc] = None
recovered_data[genome] = None
recovered_data = None
if len(big_boi) > 0:
self.genome_record[group_key] = np.concatenate(big_boi)
self.recovered_accessions[group_key] = set(self.recovered_accessions[group_key])
else:
self.genome_record[group_key] = None
self.recovered_accessions[group_key] = None
def load_one_accession_genomes(self, accession_name, low, high, group_key):
sql = 'SELECT * FROM "{acc}_genomes" WHERE genome_id >= ? AND genome_id < ?'.format(acc=accession_name)
results = self.curs.execute(sql, (low, high,)).fetchall()
tetramer_record = None
if len(results) > 0:
tetramer_record = {}
for r in results:
genome_id = r[0]
tetramer_list = np.frombuffer(r[1], dtype = np.int32)
tetramer_record[genome_id] = tetramer_list
self.recovered_accessions[group_key].append(accession_name)
return tetramer_record
#Creates vectors of genomes organized as acc : tetra : genomes
class fastaai_db_target:
def __init__(self, dbpath):
self.path = dbpath
self.conn = None
self.curs = None
self.accessions = None
self.metadata = None
self.accession_index = None
self.genome_index = None
self.reverse_gix = None
self.reverse_acc = None
self.gak = None
self.gas = None
self.start_index = 0
self.starts_by_acc = None
self.ends_by_acc = None
self.starts_within_acc = None
self.ends_within_acc = None
self.genome_record = None
self.recovered_accessions = None
self.gen_classes = None
self.genome_tax = None
self.genlens = None
def open(self):
if self.conn is None:
self.conn = sqlite3.connect(self.path)
self.curs = self.conn.cursor()
def close(self):
if self.conn is not None:
self.curs.close()
self.conn.close()
self.conn = None
self.curs = None
def get_meta(self):
#Genome-level data
self.metadata = fastaai_metadata_loader(self.path)
self.metadata.load_meta(skip_gak = False)
self.gak = self.metadata.gak #kmer counts
self.gas = self.metadata.gas #hmm scores
self.gen_classes = self.metadata.genome_classes
self.genlens = self.metadata.genlens
self.genome_tax = self.metadata.gen_tax
self.accession_index = self.metadata.scp_name_to_id
self.genome_index = self.metadata.gix
self.reverse_gix = self.metadata.reverse_gix
self.reverse_acc = self.metadata.scp_id_to_name
self.recovered_accessions = self.metadata.recovered_accessions
self.genome_class_rules = None
self.final_transform_rules = None
self.aai_models = None
self.aai_jacc_tf = None
self.query_genome_classes = None
def load_accessions_by_group(self, accessions, low_high_tups = None):
self.starts_by_acc = {}
self.ends_by_acc = {}
self.starts_within_acc = {}
self.ends_within_acc = {}
self.genome_record = {}
self.recovered_accessions = {}
if low_high_tups is None:
low_high_tups = [(0, len(self.genome_index),)]
for lh in low_high_tups:
low_bound = lh[0]
high_bound = lh[1]
lh_key = "target_"+str(low_bound)+"_to_"+str(high_bound)
self.starts_by_acc[lh_key] = {}
self.ends_by_acc[lh_key] = {}
self.starts_within_acc[lh_key] = {}
self.ends_within_acc[lh_key] = {}
self.genome_record[lh_key] = []
self.recovered_accessions[lh_key] = []
self.load_accessions(accessions, low_bound, high_bound, lh_key)
def load_accessions(self, acc_list = [], genome_range_low = 0, genome_range_high = None, group_key = None):
self.start_index = 0
for acc in acc_list:
self.starts_by_acc[group_key][acc] = self.start_index
#print("\tLoading:", acc)
next_chunk, next_starts, next_ends = self.load_one_accession_genomes(acc, genome_range_low, genome_range_high, group_key)
if next_chunk is not None:
#switching from within to absolute values
self.starts_within_acc[group_key][acc] = next_starts
self.ends_within_acc[group_key][acc] = next_ends
self.genome_record[group_key].append(next_chunk)
self.start_index += next_chunk.shape[0]
self.ends_by_acc[group_key][acc] = self.start_index
self.genome_record[group_key] = np.concatenate(self.genome_record[group_key])
self.recovered_accessions[group_key] = set(self.recovered_accessions[group_key])
#Credit to Thomas Browne at
#https://stackoverflow.com/questions/1066758/find-length-of-sequences-of-identical-values-in-a-numpy-array-run-length-encodi
#returns tuple of run lengths, start positions, and values
def rle(self, ia):
""" run length encoding. Partial credit to R rle function.
Multi datatype arrays catered for including non Numpy
returns: tuple (runlengths, startpositions, values) """
#ia = np.asarray(inarray) # force numpy - we're pre-checking this, so no need to recreate the array
n = len(ia)
if n == 0:
return (None, None, None)
else:
y = ia[1:] != ia[:-1] # pairwise unequal (string safe)
i = np.append(np.where(y), n - 1) # must include last element posi
z = np.diff(np.append(-1, i)) # run lengths
p = np.cumsum(np.append(0, z))[:-1] # positions
return(z, p, ia[i])
def load_one_accession_genomes(self, accession_name, low, high, group_key):
sql = 'SELECT * FROM "{acc}_genomes" WHERE genome_id >= ? AND genome_id < ?'.format(acc=accession_name)
results = self.curs.execute(sql, (low, high,)).fetchall()
per_genome_starts = {}
per_genome_ends = {}
per_tetra_starts = None
per_tetra_ends = None
local_index = 0
if len(results) > 0:
tetramer_record = []
for r in results:
genome_id = r[0]
tetramer_list = np.frombuffer(r[1], dtype = np.int32)
per_genome_starts[genome_id] = local_index
local_index += tetramer_list.shape[0]
per_genome_ends[genome_id] = local_index
tetramer_record.append(tetramer_list)
tetramer_record = np.concatenate(tetramer_record)
if tetramer_record.size == 0:
genome_record = None
else:
self.recovered_accessions[group_key].append(accession_name)
#Push the sort to here so that the sort is implicitly within each accession and that logic stays
#Create a vector of genome IDs
genome_record = np.zeros(shape = tetramer_record.shape, dtype = np.int32)
for genome_id in per_genome_starts:
genome_record[per_genome_starts[genome_id]:per_genome_ends[genome_id]] = genome_id
#Get the tetramer-based ordering of genome IDs, then sort both lists
ordering = tetramer_record.argsort()
genome_record = genome_record[ordering]
tetramer_record = tetramer_record[ordering]
#Now we need RLE of tetramers to give us local starts, ends for each tetra:
rle_tuple = self.rle(tetramer_record)
#rle_tuple = rle(tetramer_record)
tetramer_record = None
run_lengths = rle_tuple[0]
start_positions = rle_tuple[1]
tetramer_values = rle_tuple[2]
#Well thats easy
#end_positions = start_positions + run_lengths
#We could probably make these numpy arrays instead.
per_tetra_starts = {}
per_tetra_ends = {}
for s, l, t in zip(start_positions, run_lengths, tetramer_values):
per_tetra_starts[t] = s + self.start_index #Absolute positions in the overall shared vector
per_tetra_ends[t] = s+l + self.start_index #Absolute positions in the overall shared vector
else:
genome_record = None
return genome_record, per_tetra_starts, per_tetra_ends
#The target database determines all rule-based info.
def load_genome_class_rules_and_final_tf(self, query_acc_idx):
sql = "SELECT ruleset_json FROM rule_addition_fields"
rule = self.curs.execute(sql).fetchone()[0]
class_extraction = json.loads(rule)
self.rule_rider = None
self.genome_class_rules = {}
self.final_transform_rules = {}
if 'class_assignment' in class_extraction:
if 'classes' in class_extraction['class_assignment']:
for c in class_extraction['class_assignment']['classes']:
class_id = class_extraction['class_assignment']['classes'][c]["class"]
rationale = class_extraction['class_assignment']['classes'][c]["rationale"]
og_size = len(class_extraction['class_assignment']['classes'][c]['members'])
scp_membership = []
for scp in class_extraction['class_assignment']['classes'][c]['members']:
if scp in query_acc_idx:
scp_membership.append(query_acc_idx[scp])
scp_membership = set(scp_membership)
self.genome_class_rules[c] = {'class_id':class_id, 'scp_members':scp_membership, 'rationale':rationale, 'original_size':og_size}
#Has to have a rider or None
self.rule_rider = class_extraction['class_assignment']['rider']
if 'final_transform' in class_extraction:
for genome_class_1 in class_extraction['final_transform']:
self.final_transform_rules[int(genome_class_1)] = {}
for genome_class_2 in class_extraction['final_transform'][genome_class_1]:
this_dat = class_extraction['final_transform'][genome_class_1][genome_class_2]
intercept = this_dat['intercept']
jslope = this_dat['jacc_or_aai_slope']
scp_ct_slope = this_dat['shared_scp_ct']
scp_dev_slope = this_dat['scp_stddev']
next_rule = (intercept, jslope,
scp_ct_slope, scp_dev_slope,)
self.final_transform_rules[int(genome_class_1)][int(genome_class_2)] = next_rule
#The transformation models always come from the target database
#Load per-SCP jacc -> AAI models
#Note: this assumes that the genome class numbers are identical across two databases.
#I should make a way of checking to ensure this is true, or simply re-classify incoming query genomes according to the target db
def load_aai_models(self):
self.aai_models = {}
sql = "SELECT * FROM rulesets"
recovered_scps = self.curs.execute(sql).fetchall()
for row in recovered_scps:
scp = row[0]
scpid = self.accession_index[scp]
c1, c2 = row[1], row[2] #genome classes
lb, hb = row[3], row[4] #low bound, high bound
weight = row[5]
jacc_int, jacc_slope = row[6], row[7]
minlen, lendiff = row[8], row[9]
minscore, scorediff = row[10], row[11]
if scpid not in self.aai_models:
self.aai_models[scpid] = {}
if c1 not in self.aai_models[scpid]:
self.aai_models[scpid][c1] = {}
if c2 not in self.aai_models[scpid][c1]:
self.aai_models[scpid][c1][c2] = [[], [], []]
next_rule = np.array([weight, jacc_int, jacc_slope, minlen, lendiff, minscore, scorediff], dtype = np.float_)
self.aai_models[scpid][c1][c2][0].append(lb)
self.aai_models[scpid][c1][c2][1].append(hb)
self.aai_models[scpid][c1][c2][2].append(next_rule)
#here we need to prep these for jaccard numpy piecwise functions, which is
for scpid in self.aai_models:
condition_set = []
jaccard_slope_set = []
for c1 in self.aai_models[scpid]:
for c2 in self.aai_models[scpid][c1]:
self.aai_models[scpid][c1][c2][0] = np.array(self.aai_models[scpid][c1][c2][0], dtype = np.float_)
self.aai_models[scpid][c1][c2][1] = np.array(self.aai_models[scpid][c1][c2][1], dtype = np.float_)
self.aai_models[scpid][c1][c2][2] = np.vstack(self.aai_models[scpid][c1][c2][2], dtype = np.float_)
def classify_query_genomes(self, query_gak):
self.query_genome_classes = {}
for genome in query_gak:
query_scps = set(query_gak[genome].keys())
winning_membership = 0
winning_class = 0
for genome_class in self.genome_class_rules:
membership_pct = len(query_scps.intersection(self.genome_class_rules[genome_class]['scp_members'])) / self.genome_class_rules[genome_class]['original_size']
if membership_pct > winning_membership:
winning_membership = membership_pct
winning_class = self.genome_class_rules[genome_class]['class_id']
self.query_genome_classes[genome] = winning_class
def split_indicies(max_val, num_grps):
starts, ends = [], []
paired_se = []
splitsize = 1.0/num_grps*max_val
for i in range(num_grps):
#starts.append(round(i*splitsize))
#ends.append(round((i+1)*splitsize))
next_group = (int(round(i*splitsize)), int(round((i+1)*splitsize)), )
paired_se.append(next_group)
return paired_se
#Function to collect metadata for calculating Jaccard indices
#Needs to collect genome classes, lengths, HMM scores
def prep_target_genome_metadata(db_obj, accessions, starts_and_ends):
sz = len(db_obj.genome_index)
arrs = {}
gas_arrs = {}
for scp in accessions:
scpid = db_obj.accession_index[scp]
arrs[scpid] = np.zeros(sz, dtype = np.int32)
gas_arrs[scpid] = np.zeros(sz, dtype = np.float_)
for genomeid in db_obj.gak:
for scpid in db_obj.gak[genomeid]:
arrs[scpid][genomeid] = db_obj.gak[genomeid][scpid]
gas_arrs[scpid][genomeid] = db_obj.gas[genomeid][scpid]
recovered_scps = []
numpyized_gak = []
numpyized_gas = []
for scpid in sorted(arrs):
numpyized_gak.append(arrs[scpid])
numpyized_gas.append(gas_arrs[scpid])
recovered_scps = np.array(recovered_scps, dtype = np.int32)
numpyized_gak = np.vstack(numpyized_gak)
numpyized_gak = numpyized_gak.astype(np.int32)
numpyized_gas = np.vstack(numpyized_gas)
numpyized_gas = numpyized_gas.astype(np.float_)
presabs = numpyized_gak > 0
return numpyized_gak, presabs, numpyized_gas
def check_shared(names):
qname = names[0]
tname = names[1]
target_start = names[2]
target_end = names[3]
print("Starting block", qname, "vs", tname, file = sys.stderr)
sm = SharedMemory(qname)
arr = np.frombuffer(sm.buf, dtype = np.int32)
query_data = np.copy(arr)
arr = None
sm.close()
sm = SharedMemory(tname)
arr = np.frombuffer(sm.buf, dtype = np.int32)
target_data = np.copy(arr)
arr = None
sm.close()
sm = SharedMemory('target_gak')
arr = np.frombuffer(sm.buf, dtype = np.int32)
target_gak = np.copy(arr)
arr = None
sm.close()
sm = SharedMemory('target_gas')
arr = np.frombuffer(sm.buf, dtype = np.float_)
target_gas = np.copy(arr)
arr = None
sm.close()
sm = SharedMemory('target_presabs')
arr = np.frombuffer(sm.buf, dtype = bool)
target_presabs = np.copy(arr)
arr = None
sm.close()
sm = SharedMemory('target_genclasses')
arr = np.frombuffer(sm.buf, dtype = np.int32)
target_genclass = np.copy(arr)
arr = None
sm.close()
sm = SharedMemory('target_genlens')
arr = np.frombuffer(sm.buf, dtype = np.int32)
target_genlen = np.copy(arr)
arr = None
sm.close()
#frombuffer is always 1d arr, reshape to match og.
target_gak = target_gak.reshape(shape_me)
target_gas = target_gas.reshape(shape_me)
target_presabs = target_presabs.reshape(shape_me)
#Subset to relevant target genomes
target_gak = target_gak[:, target_start:target_end]
target_gas = target_gas[:, target_start:target_end]
target_presabs = target_presabs[:, target_start:target_end]
target_genlen = target_genlen[target_start:target_end]
target_genclass = target_genclass[target_start:target_end]
unqiue_tgenclass = np.unique(target_genclass)
uidx = {}
for idx in unqiue_tgenclass:
uidx[idx] = np.where(target_genclass == idx)[0]
#query is vectors organized as genome: acc: tetras
#target is vectors organized as acc : tetra : genomes
starts_within_genome, ends_within_genome = qstarts[qname], qends[qname]
starts_within_acc, ends_within_acc = tstarts[tname], tends[tname]
outwriter = open(os.path.normpath("fastaai_output/"+qname+"_vs_"+tname+".txt"), "w")
for genome in sorted(starts_within_genome):
tgak_slice = []
tpres_slice = []
tgas_slice = []
this_genome = []
this_genome_unions = []
query_genome_length = query_genlens[genome]
query_tax = query_genome_taxonomy[genome]
query_gclass = query_genclasses[genome]
q_acc_scores = []
observed_scps = []
for acc in starts_within_genome[genome]:
loaded_data = []
bincts = None
q_acc_id = query_accession_index[acc]
t_acc_id = idx_translator[q_acc_id]
if acc in starts_within_acc:
startidx_query = starts_within_genome[genome][acc]
endidx_query = ends_within_genome[genome][acc]
for tetramer in query_data[startidx_query:endidx_query]:
if tetramer in starts_within_acc[acc]:
startidx_target = starts_within_acc[acc][tetramer]
endidx_target = ends_within_acc[acc][tetramer]
data = target_data[startidx_target:endidx_target]
loaded_data.append(data)
if len(loaded_data) > 0:
q_acc_scores.append(query_acc_hmmscores[genome][q_acc_id])
observed_scps.append(t_acc_id)
loaded_data = np.concatenate(loaded_data)
bincts = np.bincount(loaded_data, minlength = target_end + 1)
bincts = bincts[target_start:target_end]
this_genome.append(bincts)
#Take target kmer counts and add query kmer count per SCP
tgak_slice.append(target_gak[t_acc_id] + endidx_query - startidx_query)
#tgak_slice.append(target_gak[t_acc_id] + endidx_query - startidx_query)
tpres_slice.append(target_presabs[t_acc_id])
tgas_slice.append(target_gas[t_acc_id])
if len(this_genome) > 0:
this_genome = np.vstack(this_genome)
tgak_slice = np.vstack(tgak_slice)
tpres_slice = np.vstack(tpres_slice)
tgas_slice = np.vstack(tgas_slice)
q_acc_scores = np.array(q_acc_scores, dtype = np.float_)
shared_scp_ct = np.sum(tpres_slice, axis = 0)
unions = tgak_slice - this_genome
jaccards = this_genome / unions
#here is where we have to apply the per-jaccard models.
min_hmm_score = np.minimum(q_acc_scores[:, None], tgas_slice)
max_hmm_score = np.maximum(q_acc_scores[:, None], tgas_slice)
score_diff = max_hmm_score - min_hmm_score
min_genome_length = np.minimum(query_genome_length, target_genlen)
max_genome_length = np.maximum(query_genome_length, target_genlen)
genome_length_diff = max_genome_length - min_genome_length
#jacc_sums = np.sum(jaccards, axis = 0)
#avg_jacc = jacc_sums / shared_scp_ct
converted_aai = []
converted_weights = []
for i, scp in zip(range(0, len(observed_scps)), observed_scps):
aai_model = aai_models[scp]
calculated_jaccs = jaccards[i]
transformed_aai = np.zeros(calculated_jaccs.shape, dtype = np.float_)
weights_vector = np.zeros(calculated_jaccs.shape, dtype = np.float_)
minscore_row = min_hmm_score[i]
scorediff_row = score_diff[i]
for idx in uidx:
relevant_jaccs = calculated_jaccs[uidx[idx]]
if query_gclass in aai_model:
if idx in aai_model[query_gclass]:
piecewise_linmods = aai_model[query_gclass][idx][2]
#These are constant across the piecewise models, so row 0 is always OK
minlength_mult = piecewise_linmods[0, 3]
lengthdiff_mult = piecewise_linmods[0, 4]
minscore_mult = piecewise_linmods[0, 5]
scorediff_mult = piecewise_linmods[0, 6]
minlength_addition = minlength_mult * min_genome_length[uidx[idx]]
lengthdiff_addition = lengthdiff_mult * genome_length_diff[uidx[idx]]
minscore_addition = minscore_mult * minscore_row[uidx[idx]]
scorediff_addition = scorediff_mult * scorediff_row[uidx[idx]]
jacc_slope_value = piecewise_linmods[:, 2]
intercept_values = piecewise_linmods[:, 1]
weights = piecewise_linmods[:, 0]
#lowbound = aai_model[query_gclass][idx][0]
highbound = aai_model[query_gclass][idx][1]
inserts = np.searchsorted(highbound, relevant_jaccs, side = 'left')
#add piecewise jaccard slope * observed jaccard
transformed_aai[uidx[idx]] = np.multiply(relevant_jaccs, jacc_slope_value[inserts])
#add intercept
transformed_aai[uidx[idx]] += intercept_values[inserts]
#Add piecewise local weight
weights_vector[uidx[idx]] += weights[inserts]
#add other slope info
transformed_aai[uidx[idx]] += (minlength_addition + lengthdiff_addition + minscore_addition + scorediff_addition)
converted_aai.append(transformed_aai)
converted_weights.append(weights_vector)
converted_aai = np.vstack(converted_aai)
converted_weights = np.vstack(converted_weights)
aai_predictions = np.multiply(converted_aai, converted_weights)
aai_predictions = np.sum(aai_predictions, axis = 0)
weight_sums = np.sum(converted_weights, axis = 0)
aai_predictions = aai_predictions / weight_sums
#standard deviations taken over only the values where an intersection was found
aai_deviation = np.std(converted_aai, axis = 0, where = tpres_slice)
np.nan_to_num(aai_predictions, copy = False)
np.nan_to_num(aai_deviation, copy = False)
#Final model adjustments
if query_gclass in final_tf:
for idx in uidx:
if idx in final_tf[query_gclass]:
#Final rules like so
#next_rule = (intercept, jslope,
#scp_ct_slope, scp_dev_slope)
model = final_tf[query_gclass][idx]
relevant_aai = aai_predictions[uidx[idx]]
relevant_stdev = aai_deviation[uidx[idx]]
relevant_scp_cts = shared_scp_ct[uidx[idx]]
#print(query_gclass, idx, relevant_aai, final_tf[query_gclass][idx])
relevant_aai = (final_tf[query_gclass][idx][0] + #intercept
(relevant_aai * final_tf[query_gclass][idx][1]) + #aai_est slope
(relevant_scp_cts * final_tf[query_gclass][idx][2]) + #shared scp_slope
(relevant_stdev * final_tf[query_gclass][idx][3])) #stddev slope
#print(relevant_aai)
aai_predictions[uidx[idx]] = relevant_aai
aai_predictions[aai_predictions > 100.0] = 100.0 #correct to make sense.
query_genome_name = query_genidx[genome]
for i, tgt in zip(range(0, len(aai_predictions)), range(target_start, target_end)):
target_genome_name = target_genidx[tgt]
target_tax = target_genome_taxonomy[tgt]
print(query_genome_name, query_tax, target_genome_name, target_tax, aai_predictions[i], aai_deviation[i], shared_scp_ct[i], sep = "\t", file = outwriter)
else:
query_genome_name = query_genidx[genome]
for i, tgt in zip(range(0, len(aai_predictions)), range(target_start, target_end)):
target_genome_name = target_genidx(tgt)
print(query_genome_name, query_tax, target_genome_name, target_tax, 0, 0, 0, sep = "\t", file = outwriter)
outwriter.close()
return (qname, tname,)
def run_fastaai_query():
print("Program start at", datetime.datetime.now(), file = sys.stderr)
parser, args = query_exec_options()
if len(sys.argv) < 3:
print(parser.print_help())
else:
qdb = args['query_database']
tdb = args['target_database']
num_thds = args['threads']
query_chunk_size = args['query_chunk_size']
tgt_chunk_size = args['target_chunk_size']
qmn = fastaai_db_query(qdb)
tmn = fastaai_db_target(tdb)
print("Loading query database metadata", file = sys.stderr)
qmn.open()
qmn.get_meta()
qmn.close()
print("Loading target database metadata", file = sys.stderr)
tmn.open()
tmn.get_meta()
tmn.load_genome_class_rules_and_final_tf(qmn.accession_index)
tmn.load_aai_models()
tmn.classify_query_genomes(qmn.gak)
tmn.close()
shared_scps = qmn.recovered_accessions.intersection(tmn.recovered_accessions)
shared_scps = list(shared_scps)
shared_scps.sort()
num_queries = len(qmn.genome_index)
num_tgts = len(tmn.genome_index)
#Default to load a reasonable chunking
if num_thds > 1:
if tgt_chunk_size == 0:
tgt_chunk_size = int(num_queries / int(num_thds / 2))
if query_chunk_size == 0:
query_chunk_size = int(num_tgts / (num_thds - int(num_thds / 2)))
else:
if tgt_chunk_size == 0:
tgt_chunk_size = num_tgts
if query_chunk_size == 0:
query_chunk_size = num_queries
#Ensure chunks are possible
if query_chunk_size > num_queries:
print("Fewer query genomes in the database ({sz1}) than the requested query chunk size ({sz2}).".format(sz1 = str(num_queries), sz2 = str(query_chunk_size)), file = sys.stderr)
print("Reducing query chunk size to number of database genomes.", file = sys.stderr)
query_chunk_size = num_queries
if tgt_chunk_size > num_tgts:
print("Fewer target genomes in the database ({sz1}) than the requested target chunk size ({sz2}).".format(sz1 = str(num_tgts), sz2 = str(tgt_chunk_size)), file = sys.stderr)
print("Reducing target chunk size to number of database genomes.", file = sys.stderr)
tgt_chunk_size = num_tgts
#print(query_chunk_size)
#print(tgt_chunk_size)
#quit()
start_end_pairs_queries = split_indicies(num_queries, int(num_queries/query_chunk_size))
start_end_pairs_targets = split_indicies(num_tgts, int(num_tgts/tgt_chunk_size))
print("Loading query database", file = sys.stderr)
qmn.open()
qmn.load_accessions_by_group(shared_scps, start_end_pairs_queries)
qmn.close()
print("Loading target database", file = sys.stderr)
tmn.open()
tmn.load_accessions_by_group(shared_scps, start_end_pairs_targets)
tmn.close()
#global qgak
#global tgak
#global qpresabs
#global t_accidx
global query_genidx
global target_genidx
query_genidx = qmn.metadata.reverse_gix
target_genidx = tmn.metadata.reverse_gix
global query_accession_index
global idx_translator
global shape_me
#global tpresabs
global qstarts
global qends
global tstarts
global tends
global query_genclasses
global query_genlens
global query_acc_hmmscores
global query_genome_taxonomy
#global target_genclasses
#global target_genlens
#global target_acc_hmmscores
global target_genome_taxonomy
#Last bits
global aai_models
global final_tf
#We use the target database to classify incoming query genomes to ensure they match target database expectations
query_genclasses = tmn.query_genome_classes
#And now back to the query database
query_genlens = qmn.genlens
query_acc_hmmscores = qmn.gas
query_genome_taxonomy = qmn.genome_tax
query_accession_index = qmn.accession_index
#We're gonna want to convert the target ones to be vectors
target_genclasses = tmn.gen_classes
target_genlens = tmn.genlens
#This one can stay as a dict
target_genome_taxonomy = tmn.genome_tax
#both tax dicts should be made into gtdb fmt strings...
def gtdb_fmt_tax(tax_dict):
formatted_tax = {}
for genome in tax_dict:
next_tax = []
for rank, val in zip(["d__", "p__", "c__", "o__", "f__", "g__", "s__"], tax_dict[genome]):
if val is not None:
next_tax.append(rank + val)
else:
next_tax.append(rank+"")
next_tax = ';'.join(next_tax)
formatted_tax[genome] = next_tax
return formatted_tax
query_genome_taxonomy = gtdb_fmt_tax(query_genome_taxonomy)
target_genome_taxonomy = gtdb_fmt_tax(target_genome_taxonomy)
tgclass = []
for t in sorted(target_genclasses.keys()):
tgclass.append(target_genclasses[t])
tgclass = np.array(tgclass, dtype = np.int32)
target_genclasses = tgclass
tglens = []
for t in sorted(target_genlens.keys()):
tglens.append(target_genlens[t])
tglens = np.array(tglens, dtype = np.int32)
target_genlens = tglens
aai_models = tmn.aai_models
final_tf = tmn.final_transform_rules
#We search query -> target, so we implicitly have query data every time
#qgak, qpresabs = prep_genome_metadata(qmn, shared_scps, start_end_pairs_queries)
#target data we're gonna put into shared memory.
idx_translator = {}
for scp in shared_scps:
qidx = qmn.accession_index[scp]
tidx = tmn.accession_index[scp]
idx_translator[qidx] = tidx
tgak, tpresabs, tgas = prep_target_genome_metadata(tmn, shared_scps, start_end_pairs_targets)
shape_me = tgak.shape
qstarts = qmn.starts_within_genome
qends = qmn.ends_within_genome
tstarts = tmn.starts_within_acc
tends = tmn.ends_within_acc
args = []
for qname in qmn.genome_record:
for tname, se in zip(tmn.genome_record, start_end_pairs_targets):
next_pair = (qname, tname, se[0], se[1],)
args.append(next_pair)
if not os.path.exists("fastaai_output"):
os.mkdir("fastaai_output")
print("Starting calculation at", datetime.datetime.now(), file = sys.stderr)
with SharedMemoryManager() as memory_manager:
shared_memories = []
memory_names = []
shared_memory = SharedMemory(name = 'target_gak', create=True, size = tgak.nbytes)
data = np.ndarray(tgak.shape, dtype = np.int32, buffer = shared_memory.buf)
data[:] = tgak
shared_memories.append(shared_memory)
memory_names.append('target_gak')
shared_memory = SharedMemory(name = 'target_presabs', create=True, size = tpresabs.nbytes)
data = np.ndarray(tpresabs.shape, dtype = bool, buffer = shared_memory.buf)
data[:] = tpresabs
shared_memories.append(shared_memory)
memory_names.append('target_presabs')