Mercurial > repos > greg > plant_tribes_add_scaffold
comparison add_scaffold.py @ 0:fdcced0f4ae4 draft
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author | greg |
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date | Tue, 22 May 2018 09:40:43 -0400 |
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children | 04ad7b5d22dd |
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1 #!/usr/bin/env python | |
2 """ | |
3 add_plant_tribes_scaffold.py - A script for adding a scaffold to the Galaxy PlantTribes | |
4 database efficiently by bypassing the Galaxy model and operating directly on the database. | |
5 PostgreSQL 9.1 or greater is required. | |
6 """ | |
7 import argparse | |
8 import glob | |
9 import os | |
10 import sys | |
11 | |
12 import psycopg2 | |
13 from sqlalchemy.engine.url import make_url | |
14 | |
15 | |
16 class AddScaffold(object): | |
17 def __init__(self): | |
18 self.args = None | |
19 self.clustering_methods = [] | |
20 self.conn = None | |
21 self.fh = None | |
22 self.gene_sequences_dict = {} | |
23 self.scaffold_genes_dict = {} | |
24 self.scaffold_recs = [] | |
25 self.species_genes_dict = {} | |
26 self.species_ids_dict = {} | |
27 self.taxa_lineage_config = None | |
28 self.__parse_args() | |
29 self.__connect_db() | |
30 | |
31 def __parse_args(self): | |
32 parser = argparse.ArgumentParser() | |
33 parser.add_argument('--database_connection_string', dest='database_connection_string', help='Postgres database connection string'), | |
34 parser.add_argument('--output', dest='output', help='Output dataset'), | |
35 parser.add_argument('--scaffold_path', dest='scaffold_path', help='Full path to PlantTribes scaffold directory') | |
36 self.args = parser.parse_args() | |
37 | |
38 def stop_err(msg): | |
39 sys.stderr.write(msg) | |
40 sys.exit(1) | |
41 | |
42 def __connect_db(self): | |
43 url = make_url(self.args.database_connection_string) | |
44 self.fh.write('Connecting to database with URL: %s' % url) | |
45 args = url.translate_connect_args(username='user') | |
46 args.update(url.query) | |
47 assert url.get_dialect().name == 'postgresql', 'This script can only be used with PostgreSQL.' | |
48 self.conn = psycopg2.connect(**args) | |
49 | |
50 def _flush(self): | |
51 self.conn.commit() | |
52 | |
53 def _shutdown(self): | |
54 self.conn.close() | |
55 | |
56 def _update(self, sql, args): | |
57 try: | |
58 cur = self.conn.cursor() | |
59 cur.execute(sql, args) | |
60 except Exception as e: | |
61 self.fh.write("Caught exception executing SQL:\n%s\n" % sql.format(args)) | |
62 self.stop_err('Caught exception executing SQL:\n%s\nException:\n%s\n' % (sql.format(args), e)) | |
63 return cur | |
64 | |
65 def check_scaffold(self): | |
66 """ | |
67 Make sure the scaffold has not already been added. | |
68 """ | |
69 scaffold_id = os.path.basename(self.args.scaffold_path) | |
70 sql = "SELECT id FROM plant_tribes_scaffold WHERE scaffold_id = '%s';" % scaffold_id | |
71 cur = self.conn.cursor() | |
72 cur.execute(sql) | |
73 try: | |
74 cur.fetchone()[0] | |
75 self.stop_err("The scaffold %s has already been added to the database." % scaffold_id) | |
76 except: | |
77 # The scaffold has not yet been added. | |
78 pass | |
79 | |
80 def _run(self): | |
81 self.check_scaffold() | |
82 with open(self.args.output, "w") as fh: | |
83 self.fh = fh | |
84 self.process_annot_dir(self.fh) | |
85 self.fh.flush() | |
86 self.process_scaffold_config_files(fh) | |
87 self.fh.flush() | |
88 self.process_orthogroup_fasta_files(fh) | |
89 self.fh.flush() | |
90 self.fh.close() | |
91 | |
92 def process_annot_dir(self): | |
93 """ | |
94 First, parse all of the *.min_evalue.summary files in the | |
95 ~/<scaffold_id>/annot directory (e.g., ~/22Gv1.1/annot) to populate | |
96 both the plant_tribes_scaffold and the plant_tribes_orthogroup tables. | |
97 Next, parse all of the *.list files in the same directory to populate | |
98 self.scaffold_genes_dict. | |
99 """ | |
100 scaffold_id = os.path.basename(self.args.scaffold_path) | |
101 file_dir = os.path.join(self.args.scaffold_path, 'annot') | |
102 # The scaffol naming convention must follow this pattern: | |
103 # <integer1>Gv<integer2>.<integer3> | |
104 # where integer 1 is the number of genomes in the scaffold_id. For example: | |
105 # 22Gv1.1 -> 22 genomes | |
106 # 12Gv1.0 -> 12 genomes | |
107 # 26Gv2.0 -> 26 genomes, etc. | |
108 num_genomes = int(scaffold_id.split("Gv")[0]) | |
109 super_ortho_start_index = num_genomes + 1 | |
110 for file_name in glob.glob(os.path.join(file_dir, "*min_evalue.summary")): | |
111 items = os.path.basename(file_name).split(".") | |
112 clustering_method = items[0] | |
113 # Save all clustering methods for later processing. | |
114 if clustering_method not in self.clustering_methods: | |
115 self.clustering_methods.append(clustering_method) | |
116 # Insert a row in to the plant_tribes_scaffold table. | |
117 self.fh.write("Inserting a row into the plant_tribes_scaffold table for scaffold %s and clustering method %s..." % (scaffold_id, clustering_method)) | |
118 args = [scaffold_id, clustering_method] | |
119 sql = """ | |
120 INSERT INTO plant_tribes_scaffold | |
121 VALUES (nextval('plant_tribes_scaffold_id_seq'), %s, %s) | |
122 RETURNING id; | |
123 """ | |
124 cur = self._update(sql, tuple(args)) | |
125 self._flush() | |
126 scaffold_id_db = cur.fetchone()[0] | |
127 self.scaffold_recs.append([scaffold_id_db, scaffold_id, clustering_method]) | |
128 with open(file_name, "r") as fh: | |
129 for i, line in enumerate(fh): | |
130 if i == 0: | |
131 # Skip first line. | |
132 continue | |
133 num_genes = 0 | |
134 num_species = 0 | |
135 items = line.split("\t") | |
136 orthogroup_id = int(items[0]) | |
137 # Zero based items 1 to num_genomes consists of the | |
138 # number of species classified in the orthogroup (i.e., | |
139 # species with at least 1 gene in the orthogroup). | |
140 for j in range(1, num_genomes): | |
141 j_int = int(items[j]) | |
142 if j_int > 0: | |
143 # The species has at least 1 gene | |
144 num_species += 1 | |
145 num_genes += j_int | |
146 # Insert a row into the plant_tribes_orthogroup table. | |
147 self.fh.write("Inserting a row into the plant_tribes_orthogroup table...") | |
148 args = [orthogroup_id, scaffold_id_db, num_species, num_genes] | |
149 for k in range(super_ortho_start_index, len(items)): | |
150 args.append('%s' % str(items[k])) | |
151 sql = """ | |
152 INSERT INTO plant_tribes_orthogroup | |
153 VALUES (nextval('plant_tribes_orthogroup_id_seq'), %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s, %s); | |
154 """ | |
155 cur = self._update(sql, tuple(args)) | |
156 self._flush() | |
157 for file_name in glob.glob(os.path.join(file_dir, "*list")): | |
158 items = os.path.basename(file_name).split(".") | |
159 clustering_method = items[0] | |
160 with open(file_name, "r") as fh: | |
161 for i, line in enumerate(fh): | |
162 items = line.split("\t") | |
163 # The key will be a combination of clustering_method and | |
164 # orthogroup_id separated by "^^" for easy splitting later. | |
165 key = "%s^^%s" % (clustering_method, items[0]) | |
166 # The value is the gen_id with all white space replaced by "_". | |
167 val = items[1].replace("|", "_") | |
168 if key in self.scaffold_genes_dict: | |
169 self.scaffold_genes_dict[key].append(val) | |
170 else: | |
171 self.scaffold_genes_dict[key] = [val] | |
172 | |
173 def process_scaffold_config_files(self): | |
174 """ | |
175 1. Parse ~/<scaffold_id>/<scaffold_id>/.rootingOrder.config | |
176 (e.g., ~/22Gv1.1/22Gv1.1..rootingOrder.config) to populate. | |
177 2. Calculate the number of genes found | |
178 for each species and add the number to self.species_genes_dict. | |
179 3. Parse ~/<scaffold_id>/<scaffold_id>.taxaLineage.config to | |
180 populate the plant_tribes_taxon table. | |
181 """ | |
182 scaffold_id = os.path.basename(self.args.scaffold_path) | |
183 file_name = os.path.join(self.args.scaffold_path, '%s.rootingOrder.config' % scaffold_id) | |
184 self.fh.write("Processing rooting order config: %s" % str(file_name)) | |
185 # Populate self.species_ids_dict. | |
186 with open(file_name, "r") as fh: | |
187 for i, line in enumerate(fh): | |
188 line = line.strip() | |
189 if len(line) == 0 or line.startswith("#") or line.startswith("["): | |
190 # Skip blank lines, comments and section headers. | |
191 continue | |
192 # Example line: | |
193 # Physcomitrella patens=Phypa | |
194 items = line.split("=") | |
195 self.species_ids_dict[items[1]] = items[0] | |
196 # Get lineage information for orthogrpoup taxa. | |
197 for scaffold_genes_dict_key in sorted(self.scaffold_genes_dict.keys()): | |
198 # The format of key is <clustering_method>^^<orthogroup_id>. | |
199 # For example: {"gfam^^1" : "gnl_Musac1.0_GSMUA_Achr1T11000_001" | |
200 scaffold_genes_dict_key_items = scaffold_genes_dict_key.split("^^") | |
201 clustering_method = scaffold_genes_dict_key_items[0] | |
202 # Get the list of genes for the current scaffold_genes_dict_key. | |
203 gene_list = self.scaffold_genes_dict[scaffold_genes_dict_key] | |
204 for gene_id in gene_list: | |
205 # Example species_code: Musac1.0, where | |
206 # species_name is Musac and version is 1.0. | |
207 species_code = gene_id.split("_")[1] | |
208 # Strip the version from the species_code. | |
209 species_code = species_code[0:5] | |
210 # Get the species_name from self.species_ids_dict. | |
211 species_name = self.species_ids_dict[species_code] | |
212 # Create a key for self.species_genes_dict, with the format: | |
213 # <clustering_method>^^<species_code> | |
214 species_genes_dict_key = "%s^^%s" % (clustering_method, species_code) | |
215 # Add an entry to self.species_genes_dict, where the value | |
216 # is a list containing species_name and num_genes. | |
217 if species_genes_dict_key in self.species_genes_dict: | |
218 tup = self.species_genes_dict[species_genes_dict_key] | |
219 tup[1] += 1 | |
220 self.species_genes_dict[species_genes_dict_key] = tup | |
221 else: | |
222 self.species_genes_dict[species_genes_dict_key] = [species_name, 1] | |
223 # Populate the plant_tribes_taxon table. | |
224 file_name = os.path.join(self.args.scaffold_path, '%s.taxaLineage.config' % scaffold_id) | |
225 self.fh.write("Processing taxa lineage config: %s" % str(file_name)) | |
226 with open(file_name, "r") as fh: | |
227 for i, line in enumerate(fh): | |
228 line = line.strip() | |
229 if len(line) == 0 or line.startswith("#") or line.startswith("Species"): | |
230 # Skip blank lines, comments and section headers. | |
231 continue | |
232 # Example line: Populus trichocarpa\tSalicaceae\tMalpighiales\tRosids\tCore Eudicots | |
233 items = line.split("\t") | |
234 species_name = items[0] | |
235 self.fh.write("Calculating the number of genes for species_name: %s" % str(species_name)) | |
236 for species_genes_dict_key in sorted(self.species_genes_dict.keys()): | |
237 # The format of species_genes_dict_key is <clustering_method>^^<species_code>. | |
238 species_genes_dict_key_items = species_genes_dict_key.split("^^") | |
239 clustering_method = species_genes_dict_key_items[0] | |
240 species_code = species_genes_dict_key_items[1] | |
241 # Get the scaffold_rec for the current scaffold_id and clustering_method. | |
242 # The list is [<scaffold_id_db>, <scaffold_id>, <clustering_method>] | |
243 for scaffold_rec in self.scaffold_recs: | |
244 if scaffold_id in scaffold_rec and clustering_method in scaffold_rec: | |
245 scaffold_id_db = scaffold_rec[0] | |
246 # The value is a list containing species_name and num_genes. | |
247 val = self.species_genes_dict[species_genes_dict_key] | |
248 if species_name == val[0]: | |
249 num_genes = val[1] | |
250 else: | |
251 num_genes = 0 | |
252 # Insert a row in to the plant_tribes_scaffold table. | |
253 args = [species_name, scaffold_id_db, num_genes, items[1], items[2], items[3], items[4]] | |
254 sql = """ | |
255 INSERT INTO plant_tribes_taxon | |
256 VALUES (nextval('plant_tribes_taxon_id_seq'), %s, %s, %s, %s, %s, %s, %s); | |
257 """ | |
258 self._update(sql, tuple(args)) | |
259 self._flush() | |
260 | |
261 def process_orthogroup_fasta_files(self): | |
262 scaffold_id = os.path.basename(self.args.scaffold_path) | |
263 aa_dict = {} | |
264 dna_dict = {} | |
265 # Populate aa_dict and dna_dict. | |
266 for clustering_method in self.clustering_methods: | |
267 file_dir = os.path.join(self.args.scaffold_path, 'fasta', clustering_method) | |
268 for file_name in os.listdir(file_dir): | |
269 items = file_name.split(".") | |
270 orthogroup_id = items[0] | |
271 file_extension = items[1] | |
272 if file_extension == "fna": | |
273 adict = dna_dict | |
274 else: | |
275 adict = aa_dict | |
276 file_path = os.path.join(file_dir, file_name) | |
277 with open(file_path, "r") as fh: | |
278 for i, line in enumerate(fh): | |
279 line = line.strip() | |
280 if len(line) == 0: | |
281 # Skip blank lines (shoudn't happen). | |
282 continue | |
283 if line.startswith(">"): | |
284 # Example line: | |
285 # >gnl_Ambtr1.0.27_AmTr_v1.0_scaffold00001.110 | |
286 gene_id = line.lstrip(">") | |
287 # The dictionary keys will combine the orthogroup_id, | |
288 # clustering method and gene id using the format | |
289 # ,orthogroup_id>^^<clustering_method>^^<gene_id>. | |
290 combined_id = "%s^^%s^^%s" % (orthogroup_id, clustering_method, gene_id) | |
291 if combined_id not in adict: | |
292 # The value will be the dna sequence string.. | |
293 adict[combined_id] = "" | |
294 else: | |
295 # Example line: | |
296 # ATGGAGAAGGACTTT | |
297 # Here combined_id is set because the fasta format specifies | |
298 # that all lines following the gene id defined in the if block | |
299 # above will be the sequence associated with that gene until | |
300 # the next gene id line is encountered. | |
301 sequence = adict[combined_id] | |
302 sequence = "%s%s" % (sequence, line) | |
303 adict[combined_id] = sequence | |
304 # Populate the plant_tribes_gene and gen_scaffold_association tables | |
305 # from the contents of aa_dict and dna_dict. | |
306 for combined_id in sorted(dna_dict.keys()): | |
307 # The dictionary keys combine the orthogroup_id, clustering method and | |
308 # gene id using the format <orthogroup_id>^^<clustering_method>^^<gene_id>. | |
309 items = combined_id.split("^^") | |
310 orthogroup_id = items[0] | |
311 clustering_method = items[1] | |
312 gene_id = items[2] | |
313 self.fh.write("Populating the plant_tribes_gene and gene_scaffold_orthogroup_association tables with gene %s, scaffold %s and orthogroup %s..." % (gene_id, scaffold_id, orthogroup_id)) | |
314 # The value will be a list containing both | |
315 # clustering_method and the dna string. | |
316 dna_sequence = dna_dict[combined_id] | |
317 aa_sequence = aa_dict[combined_id] | |
318 # Get the species_code from the gene_id. | |
319 species_code = gene_id.split("_")[1] | |
320 # Strip the version from the species_code. | |
321 species_code = species_code[0:5] | |
322 # Get the species_name from self.species_ids_dict. | |
323 species_name = self.species_ids_dict[species_code] | |
324 # Get the plant_tribes_orthogroup primary key id for | |
325 # the orthogroup_id from the plant_tribes_orthogroup table. | |
326 sql = "SELECT id FROM plant_tribes_orthogroup WHERE orthogroup_id = '%s';" % orthogroup_id | |
327 cur = self.conn.cursor() | |
328 cur.execute(sql) | |
329 orthogroup_id_db = cur.fetchone()[0] | |
330 # If the plant_tribes_gene table contains a row that has the gene_id, | |
331 # then we'll add a row only to the gene_scaffold_orthogroup_association table. | |
332 # Get the taxon_id for the species_name from the plant_tribes_taxon table. | |
333 sql = "SELECT id FROM plant_tribes_taxon WHERE species_name = '%s';" % species_name | |
334 cur = self.conn.cursor() | |
335 cur.execute(sql) | |
336 taxon_id = cur.fetchone()[0] | |
337 # If the plant_tribes_gene table contains a row that has the gene_id, | |
338 # then we'll add a row only to the gene_scaffold_orthogroup_association table. | |
339 sql = "SELECT id FROM plant_tribes_gene WHERE gene_id = '%s';" % gene_id | |
340 cur = self.conn.cursor() | |
341 cur.execute(sql) | |
342 try: | |
343 gene_id_db = cur.fetchone()[0] | |
344 except: | |
345 # Insert a row into the plant_tribes_gene table. | |
346 args = [gene_id, taxon_id, dna_sequence, aa_sequence] | |
347 sql = """ | |
348 INSERT INTO plant_tribes_gene | |
349 VALUES (nextval('plant_tribes_gene_id_seq'), %s, %s, %s, %s) | |
350 RETURNING id; | |
351 """ | |
352 cur = self._update(sql, tuple(args)) | |
353 self._flush() | |
354 gene_id_db = cur.fetchone()[0] | |
355 # Insert a row into the gene_scaffold_orthogroup_association table. | |
356 # Get the scaffold_rec for the current scaffold_id and clustering_method. | |
357 # The list is [<scaffold_id_db>, <scaffold_id>, <clustering_method>] | |
358 for scaffold_rec in self.scaffold_recs: | |
359 if scaffold_id in scaffold_rec and clustering_method in scaffold_rec: | |
360 scaffold_id_db = scaffold_rec[0] | |
361 args = [gene_id_db, scaffold_id_db, orthogroup_id_db] | |
362 sql = """ | |
363 INSERT INTO gene_scaffold_orthogroup_association | |
364 VALUES (nextval('gene_scaffold_orthogroup_association_id_seq'), %s, %s, %s); | |
365 """ | |
366 cur = self._update(sql, tuple(args)) | |
367 self._flush() | |
368 | |
369 | |
370 if __name__ == '__main__': | |
371 add_scaffold = AddScaffold() | |
372 add_scaffold._run() | |
373 add_scaffold._shutdown() |