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... | @@ -10,6 +10,7 @@ Contents: | ... | @@ -10,6 +10,7 @@ Contents: |
10 | * [Database tables documentation](doc/Database.md) | 10 | * [Database tables documentation](doc/Database.md) |
11 | * [FAQ](doc/FAQ.md) | 11 | * [FAQ](doc/FAQ.md) |
12 | * [Troubleshooting](#troubleshooting) | 12 | * [Troubleshooting](#troubleshooting) |
13 | +* [Known Issues and Feature Requests](doc/KnownIssues.md) | ||
13 | * [Contact](#contact) | 14 | * [Contact](#contact) |
14 | 15 | ||
15 | ## Cite us | 16 | ## Cite us | ... | ... |
... | @@ -1730,7 +1730,7 @@ def gmm_hrna_basepair_type(type_LW, ntpair, data, scan): | ... | @@ -1730,7 +1730,7 @@ def gmm_hrna_basepair_type(type_LW, ntpair, data, scan): |
1730 | setproctitle(f"GMM (HiRE-RNA {type_LW} {ntpair} basepairs) finished") | 1730 | setproctitle(f"GMM (HiRE-RNA {type_LW} {ntpair} basepairs) finished") |
1731 | 1731 | ||
1732 | @trace_unhandled_exceptions | 1732 | @trace_unhandled_exceptions |
1733 | -def merge_jsons(): | 1733 | +def merge_jsons(do_hrna): |
1734 | """ | 1734 | """ |
1735 | Reads the tons of JSON files produced by the geometric analyses, and compiles them into fewer files. | 1735 | Reads the tons of JSON files produced by the geometric analyses, and compiles them into fewer files. |
1736 | It is simple concatenation of the JSONs. | 1736 | It is simple concatenation of the JSONs. |
... | @@ -1744,12 +1744,19 @@ def merge_jsons(): | ... | @@ -1744,12 +1744,19 @@ def merge_jsons(): |
1744 | bonds = [ runDir + "/results/geometry/json/" + x + ".json" for x in bonds ] | 1744 | bonds = [ runDir + "/results/geometry/json/" + x + ".json" for x in bonds ] |
1745 | concat_jsons(bonds, runDir + "/results/geometry/json/all_atom_distances.json") | 1745 | concat_jsons(bonds, runDir + "/results/geometry/json/all_atom_distances.json") |
1746 | 1746 | ||
1747 | - | ||
1748 | # All atom torsions | 1747 | # All atom torsions |
1749 | torsions = ["Alpha", "Beta", "Gamma", "Delta", "Epsilon", "Xhi", "Zeta"] | 1748 | torsions = ["Alpha", "Beta", "Gamma", "Delta", "Epsilon", "Xhi", "Zeta"] |
1750 | torsions = [ runDir + "/results/geometry/json/" + x + ".json" for x in torsions ] | 1749 | torsions = [ runDir + "/results/geometry/json/" + x + ".json" for x in torsions ] |
1751 | concat_jsons(torsions, runDir + "/results/geometry/json/all_atom_torsions.json") | 1750 | concat_jsons(torsions, runDir + "/results/geometry/json/all_atom_torsions.json") |
1752 | 1751 | ||
1752 | + # Delete previous files | ||
1753 | + for f in bonds + torsions: | ||
1754 | + try: | ||
1755 | + os.remove(f) | ||
1756 | + except FileNotFoundError: | ||
1757 | + pass | ||
1758 | + | ||
1759 | + if do_hrna: | ||
1753 | # HiRE-RNA distances | 1760 | # HiRE-RNA distances |
1754 | hrnabonds = [r"P-O5'", r"O5'-C5'", r"C5'-C4'", r"C4'-C1'", r"C1'-B1", r"B1-B2", r"C4'-P"] | 1761 | hrnabonds = [r"P-O5'", r"O5'-C5'", r"C5'-C4'", r"C4'-C1'", r"C1'-B1", r"B1-B2", r"C4'-P"] |
1755 | hrnabonds = [ runDir + "/results/geometry/json/" + x + ".json" for x in hrnabonds ] | 1762 | hrnabonds = [ runDir + "/results/geometry/json/" + x + ".json" for x in hrnabonds ] |
... | @@ -1772,7 +1779,7 @@ def merge_jsons(): | ... | @@ -1772,7 +1779,7 @@ def merge_jsons(): |
1772 | concat_jsons(bps, runDir + f"/results/geometry/json/hirerna_{nt1}{nt2}_basepairs.json") | 1779 | concat_jsons(bps, runDir + f"/results/geometry/json/hirerna_{nt1}{nt2}_basepairs.json") |
1773 | 1780 | ||
1774 | # Delete previous files | 1781 | # Delete previous files |
1775 | - for f in bonds + torsions + hrnabonds + hrnaangles + hrnators: | 1782 | + for f in hrnabonds + hrnaangles + hrnators: |
1776 | try: | 1783 | try: |
1777 | os.remove(f) | 1784 | os.remove(f) |
1778 | except FileNotFoundError: | 1785 | except FileNotFoundError: |
... | @@ -1876,8 +1883,9 @@ def concat_jsons(flist, outfilename): | ... | @@ -1876,8 +1883,9 @@ def concat_jsons(flist, outfilename): |
1876 | 1883 | ||
1877 | result = [] | 1884 | result = [] |
1878 | for f in flist: | 1885 | for f in flist: |
1879 | - # if not os.path.isfile(f): | 1886 | + if not os.path.isfile(f): |
1880 | - # continue: | 1887 | + warn("Unable to find "+f) |
1888 | + continue | ||
1881 | with open(f, "rb") as infile: | 1889 | with open(f, "rb") as infile: |
1882 | result.append(json.load(infile)) | 1890 | result.append(json.load(infile)) |
1883 | 1891 | ... | ... |
... | @@ -1536,6 +1536,6 @@ if __name__ == "__main__": | ... | @@ -1536,6 +1536,6 @@ if __name__ == "__main__": |
1536 | if DO_WADLEY_ANALYSIS: | 1536 | if DO_WADLEY_ANALYSIS: |
1537 | joblist.append(Job(function=gmm_pyle, args=(RESCAN_GMM_COMP_NUM, res_thr))) | 1537 | joblist.append(Job(function=gmm_pyle, args=(RESCAN_GMM_COMP_NUM, res_thr))) |
1538 | process_jobs(joblist) | 1538 | process_jobs(joblist) |
1539 | - merge_jsons() | 1539 | + merge_jsons(DO_HIRE_RNA_MEASURES) |
1540 | 1540 | ||
1541 | 1541 | ... | ... |
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