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107 deletions
... | @@ -3,107 +3,11 @@ nohup.out | ... | @@ -3,107 +3,11 @@ nohup.out |
3 | jobstats.csv | 3 | jobstats.csv |
4 | log_of_the_run.sh | 4 | log_of_the_run.sh |
5 | 5 | ||
6 | -# Byte-compiled / optimized / DLL files | 6 | +# temporary results files |
7 | -__pycache__/ | 7 | +data/*.npy |
8 | -*.py[cod] | 8 | +data/*.npz |
9 | -*$py.class | 9 | +data/olddata |
10 | - | 10 | + |
11 | -# C extensions | 11 | +# environment stuff |
12 | -*.so | 12 | +.vscode/ |
13 | - | 13 | +*.pyc |
14 | -# Distribution / packaging | ||
15 | -.Python | ||
16 | -build/ | ||
17 | -develop-eggs/ | ||
18 | -dist/ | ||
19 | -downloads/ | ||
20 | -eggs/ | ||
21 | -.eggs/ | ||
22 | -lib/ | ||
23 | -lib64/ | ||
24 | -parts/ | ||
25 | -sdist/ | ||
26 | -var/ | ||
27 | -wheels/ | ||
28 | -*.egg-info/ | ||
29 | -.installed.cfg | ||
30 | -*.egg | ||
31 | -MANIFEST | ||
32 | - | ||
33 | -# PyInstaller | ||
34 | -# Usually these files are written by a python script from a template | ||
35 | -# before PyInstaller builds the exe, so as to inject date/other infos into it. | ||
36 | -*.manifest | ||
37 | -*.spec | ||
38 | - | ||
39 | -# Installer logs | ||
40 | -pip-log.txt | ||
41 | -pip-delete-this-directory.txt | ||
42 | - | ||
43 | -# Unit test / coverage reports | ||
44 | -htmlcov/ | ||
45 | -.tox/ | ||
46 | -.coverage | ||
47 | -.coverage.* | ||
48 | -.cache | ||
49 | -nosetests.xml | ||
50 | -coverage.xml | ||
51 | -*.cover | ||
52 | -.hypothesis/ | ||
53 | -.pytest_cache/ | ||
54 | - | ||
55 | -# Translations | ||
56 | -*.mo | ||
57 | -*.pot | ||
58 | - | ||
59 | -# Django stuff: | ||
60 | -*.log | ||
61 | -local_settings.py | ||
62 | -db.sqlite3 | ||
63 | - | ||
64 | -# Flask stuff: | ||
65 | -instance/ | ||
66 | -.webassets-cache | ||
67 | - | ||
68 | -# Scrapy stuff: | ||
69 | -.scrapy | ||
70 | - | ||
71 | -# Sphinx documentation | ||
72 | -docs/_build/ | ||
73 | - | ||
74 | -# PyBuilder | ||
75 | -target/ | ||
76 | - | ||
77 | -# Jupyter Notebook | ||
78 | -.ipynb_checkpoints | ||
79 | - | ||
80 | -# pyenv | ||
81 | -.python-version | ||
82 | - | ||
83 | -# celery beat schedule file | ||
84 | -celerybeat-schedule | ||
85 | - | ||
86 | -# SageMath parsed files | ||
87 | -*.sage.py | ||
88 | - | ||
89 | -# Environments | ||
90 | -.env | ||
91 | -.venv | ||
92 | -env/ | ||
93 | -venv/ | ||
94 | -ENV/ | ||
95 | -env.bak/ | ||
96 | -venv.bak/ | ||
97 | - | ||
98 | -# Spyder project settings | ||
99 | -.spyderproject | ||
100 | -.spyproject | ||
101 | - | ||
102 | -# Rope project settings | ||
103 | -.ropeproject | ||
104 | - | ||
105 | -# mkdocs documentation | ||
106 | -/site | ||
107 | - | ||
108 | -# mypy | ||
109 | -.mypy_cache/ | ||
... | \ No newline at end of file | ... | \ No newline at end of file | ... | ... |
... | @@ -916,7 +916,7 @@ def execute_joblist(fulljoblist, printstats=False): | ... | @@ -916,7 +916,7 @@ def execute_joblist(fulljoblist, printstats=False): |
916 | 916 | ||
917 | if printstats: | 917 | if printstats: |
918 | # Write statistics in a file (header here) | 918 | # Write statistics in a file (header here) |
919 | - f = open("jobstats.csv", "w") | 919 | + f = open("data/jobstats.csv", "w") |
920 | f.write("label,comp_time,max_mem\n") | 920 | f.write("label,comp_time,max_mem\n") |
921 | f.close() | 921 | f.close() |
922 | 922 | ||
... | @@ -948,7 +948,7 @@ def execute_joblist(fulljoblist, printstats=False): | ... | @@ -948,7 +948,7 @@ def execute_joblist(fulljoblist, printstats=False): |
948 | mems = [ r[1] for r in raw_results ] | 948 | mems = [ r[1] for r in raw_results ] |
949 | 949 | ||
950 | # Write them to file | 950 | # Write them to file |
951 | - f = open("jobstats.csv", "a") | 951 | + f = open("data/jobstats.csv", "a") |
952 | for j, t, m in zip(bunch, times, mems): | 952 | for j, t, m in zip(bunch, times, mems): |
953 | j.comp_time = t | 953 | j.comp_time = t |
954 | j.max_mem = m | 954 | j.max_mem = m |
... | @@ -1636,7 +1636,7 @@ if __name__ == "__main__": | ... | @@ -1636,7 +1636,7 @@ if __name__ == "__main__": |
1636 | n_pdb = [ len(rfam_acc_to_download[f]) for f in fam_stats["rfam_acc"] ] | 1636 | n_pdb = [ len(rfam_acc_to_download[f]) for f in fam_stats["rfam_acc"] ] |
1637 | fam_stats["n_pdb_seqs"] = n_pdb | 1637 | fam_stats["n_pdb_seqs"] = n_pdb |
1638 | fam_stats["total_seqs"] = fam_stats["n_seq"] + fam_stats["n_pdb_seqs"] | 1638 | fam_stats["total_seqs"] = fam_stats["n_seq"] + fam_stats["n_pdb_seqs"] |
1639 | - fam_stats.to_csv(path_to_seq_data + "realigned/statistics.csv") | 1639 | + fam_stats.to_csv(path_to_seq_data + "data/statistics.csv") |
1640 | # print the stats | 1640 | # print the stats |
1641 | for f in fam_list: | 1641 | for f in fam_list: |
1642 | line = fam_stats[fam_stats["rfam_acc"]==f] | 1642 | line = fam_stats[fam_stats["rfam_acc"]==f] | ... | ... |
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