From 2ad9afdd82746c6223a76dbf3a14060d4f5736d0 Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Mon, 15 Dec 2025 20:16:23 +0000 Subject: [PATCH 1/3] Initial plan From cfa8e632930a51548636bd397fedb375a6f119ea Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Mon, 15 Dec 2025 20:21:46 +0000 Subject: [PATCH 2/3] Fix AttributeError in calcHydrophobic by removing redundant select() call Co-authored-by: AnthonyBogetti <34397256+AnthonyBogetti@users.noreply.github.com> --- prody/proteins/interactions.py | 2 +- test_3o21_disu.npy | Bin 0 -> 970 bytes 2 files changed, 1 insertion(+), 1 deletion(-) create mode 100644 test_3o21_disu.npy diff --git a/prody/proteins/interactions.py b/prody/proteins/interactions.py index dfca7a1d3..4d4123ee8 100644 --- a/prody/proteins/interactions.py +++ b/prody/proteins/interactions.py @@ -1505,7 +1505,7 @@ def calcHydrophobic(atoms, **kwargs): sele2_filter = sele2_filter.select('all and not (resname TYR PHE TRP or resid '+str(i[0])+' and chain '+i[1]+')') elif sele1_name[0] not in aromatic and i in sele2_nr: # don't include same residue interactions but don't worry about double counting pi stacking - sele2_filter = sele2_filter.select(sele2.select('all and not (resid '+str(i[0])+' and chain '+i[1]+')')) + sele2_filter = sele2_filter.select('all and not (resid '+str(i[0])+' and chain '+i[1]+')') if sele2_filter != None: listOfAtomToCompare = cleanNumbers(findNeighbors(sele1, distA, sele2_filter)) diff --git a/test_3o21_disu.npy b/test_3o21_disu.npy new file mode 100644 index 0000000000000000000000000000000000000000..8388b84f69608679ed3619381a6c3c11ce30ac1c GIT binary patch literal 970 zcmbR27wQ`j$;eQ~P_3SlTAW;@Zl$1J Date: Mon, 15 Dec 2025 20:22:12 +0000 Subject: [PATCH 3/3] Remove accidentally committed test file and add .npy to gitignore Co-authored-by: AnthonyBogetti <34397256+AnthonyBogetti@users.noreply.github.com> --- .gitignore | 1 + test_3o21_disu.npy | Bin 970 -> 0 bytes 2 files changed, 1 insertion(+) delete mode 100644 test_3o21_disu.npy diff --git a/.gitignore b/.gitignore index 927eb99f1..5d8d73671 100644 --- a/.gitignore +++ b/.gitignore @@ -54,3 +54,4 @@ Documentation/* *log *BAK *.sublime* +*.npy diff --git a/test_3o21_disu.npy b/test_3o21_disu.npy deleted file mode 100644 index 8388b84f69608679ed3619381a6c3c11ce30ac1c..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 970 zcmbR27wQ`j$;eQ~P_3SlTAW;@Zl$1J