Mercurial > repos > peterjc > effectivet3
annotate tools/effectiveT3/effectiveT3.py @ 8:60a9b3f760cc draft
v0.0.17 Used cached URL, python style updates
author | peterjc |
---|---|
date | Wed, 01 Feb 2017 09:22:21 -0500 |
parents | 5f85301d50bf |
children | 512530020360 |
rev | line source |
---|---|
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
1 #!/usr/bin/env python |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
2 """Wrapper for EffectiveT3 v1.0.1 for use in Galaxy. |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
3 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
4 This script takes exactly five command line arguments: |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
5 * model name (e.g. TTSS_STD-1.0.1.jar) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
6 * threshold (selective or sensitive) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
7 * an input protein FASTA filename |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
8 * output tabular filename |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
9 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
10 It then calls the standalone Effective T3 v1.0.1 program (not the |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
11 webservice), and reformats the semi-colon separated output into |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
12 tab separated output for use in Galaxy. |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
13 """ |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
14 import sys |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
15 import os |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
16 import subprocess |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
17 |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
18 # The Galaxy auto-install via tool_dependencies.xml will set this environment variable |
8 | 19 effective_t3_dir = os.environ.get("EFFECTIVET3", "/opt/EffectiveT3/") |
20 effective_t3_jar = os.path.join(effective_t3_dir, "TTSS_GUI-1.0.1.jar") | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
21 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
22 if "-v" in sys.argv or "--version" in sys.argv: |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
23 # TODO - Get version of the JAR file dynamically? |
8 | 24 print("Wrapper v0.0.17, TTSS_GUI-1.0.1.jar") |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
25 sys.exit(0) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
26 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
27 if len(sys.argv) != 5: |
8 | 28 sys.exit("Require four arguments: model, threshold, input protein FASTA file & output tabular file") |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
29 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
30 model, threshold, fasta_file, tabular_file = sys.argv[1:] |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
31 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
32 if not os.path.isfile(fasta_file): |
8 | 33 sys.exit("Input FASTA file not found: %s" % fasta_file) |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
34 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
35 if threshold not in ["selective", "sensitive"] \ |
8 | 36 and not threshold.startswith("cutoff="): |
37 sys.exit("Threshold should be selective, sensitive, or cutoff=..., not %r" % threshold) | |
38 | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
39 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
40 def clean_tabular(raw_handle, out_handle): |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
41 """Clean up Effective T3 output to make it tabular.""" |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
42 count = 0 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
43 positive = 0 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
44 errors = 0 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
45 for line in raw_handle: |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
46 if not line or line.startswith("#") \ |
8 | 47 or line.startswith("Id; Description; Score;"): |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
48 continue |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
49 assert line.count(";") >= 3, repr(line) |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
50 # Normally there will just be three semi-colons, however the |
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
51 # original FASTA file's ID or description might have had |
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
52 # semi-colons in it as well, hence the following hackery: |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
53 try: |
8 | 54 id_descr, score, effective = line.rstrip("\r\n").rsplit(";", 2) |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
55 # Cope when there was no FASTA description |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
56 if "; " not in id_descr and id_descr.endswith(";"): |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
57 id = id_descr[:-1] |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
58 descr = "" |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
59 else: |
8 | 60 id, descr = id_descr.split("; ", 1) |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
61 except ValueError: |
8 | 62 sys.exit("Problem parsing line:\n%s\n" % line) |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
63 parts = [s.strip() for s in [id, descr, score, effective]] |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
64 out_handle.write("\t".join(parts) + "\n") |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
65 count += 1 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
66 if float(score) < 0: |
8 | 67 errors += 1 |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
68 if effective.lower() == "true": |
8 | 69 positive += 1 |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
70 return count, positive, errors |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
71 |
8 | 72 |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
73 def run(cmd): |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
74 # Avoid using shell=True when we call subprocess to ensure if the Python |
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
75 # script is killed, so too is the child process. |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
76 try: |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
77 child = subprocess.Popen(cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
78 except Exception, err: |
8 | 79 sys.exit("Error invoking command:\n%s\n\n%s\n" % (" ".join(cmd), err)) |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
80 # Use .communicate as can get deadlocks with .wait(), |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
81 stdout, stderr = child.communicate() |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
82 return_code = child.returncode |
7 | 83 if return_code or stderr.startswith("Exception in thread"): |
8 | 84 cmd_str = " ".join(cmd) # doesn't quote spaces etc |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
85 if stderr and stdout: |
8 | 86 sys.exit("Return code %i from command:\n%s\n\n%s\n\n%s" % (return_code, cmd_str, stdout, stderr)) |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
87 else: |
8 | 88 sys.exit("Return code %i from command:\n%s\n%s" % (return_code, cmd_str, stderr)) |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
89 |
7 | 90 |
8 | 91 if not os.path.isdir(effective_t3_dir): |
92 sys.exit("Effective T3 folder not found: %r" % effective_t3_dir) | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
93 |
8 | 94 if not os.path.isfile(effective_t3_jar): |
95 sys.exit("Effective T3 JAR file not found: %r" % effective_t3_jar) | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
96 |
8 | 97 if not os.path.isdir(os.path.join(effective_t3_dir, "module")): |
98 sys.exit("Effective T3 module folder not found: %r" % os.path.join(effective_t3_dir, "module")) | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
99 |
8 | 100 effective_t3_model = os.path.join(effective_t3_dir, "module", model) |
101 if not os.path.isfile(effective_t3_model): | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
102 sys.stderr.write("Contents of %r is %s\n" |
8 | 103 % (os.path.join(effective_t3_dir, "module"), |
104 ", ".join(repr(p) for p in os.listdir(os.path.join(effective_t3_dir, "module"))))) | |
105 sys.stderr.write("Main JAR was found: %r\n" % effective_t3_jar) | |
106 sys.exit("Effective T3 model JAR file not found: %r" % effective_t3_model) | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
107 |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
108 # We will have write access whereever the output should be, |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
109 temp_file = os.path.abspath(tabular_file + ".tmp") |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
110 |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
111 # Use absolute paths since will change current directory... |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
112 tabular_file = os.path.abspath(tabular_file) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
113 fasta_file = os.path.abspath(fasta_file) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
114 |
8 | 115 cmd = ["java", "-jar", effective_t3_jar, |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
116 "-f", fasta_file, |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
117 "-m", model, |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
118 "-t", threshold, |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
119 "-o", temp_file, |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
120 "-q"] |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
121 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
122 try: |
5
1ea715da1879
Uploaded v0.0.13, embed citation, relax test for floating point differences
peterjc
parents:
3
diff
changeset
|
123 # Must run from directory above the module subfolder: |
8 | 124 os.chdir(effective_t3_dir) |
125 except Exception: | |
126 sys.exit("Could not change to Effective T3 folder: %s" % effective_t3_dir) | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
127 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
128 run(cmd) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
129 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
130 if not os.path.isfile(temp_file): |
8 | 131 sys.exit("ERROR - No output file from Effective T3") |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
132 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
133 out_handle = open(tabular_file, "w") |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
134 out_handle.write("#ID\tDescription\tScore\tEffective\n") |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
135 data_handle = open(temp_file) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
136 count, positive, errors = clean_tabular(data_handle, out_handle) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
137 data_handle.close() |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
138 out_handle.close() |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
139 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
140 os.remove(temp_file) |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
141 |
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
142 if errors: |
8 | 143 print("%i sequences, %i positive, %i errors" |
144 % (count, positive, errors)) | |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
145 else: |
8 | 146 print("%i/%i sequences positive" % (positive, count)) |
3
b0b927299aee
Uploaded v0.0.11 with automatic dependency installation.
peterjc
parents:
diff
changeset
|
147 |
8 | 148 if count and count == errors: |
149 # Galaxy will still allow them to see the output file | |
150 sys.exit("All your sequences gave an error code") |