From e8548fbe41471aadcb805a3a330fd2fc433b9bbd Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 2 Oct 2024 11:44:44 +0200
Subject: [PATCH] remove GDT attributes from chain_mapping.ReprResult
No one uses it (fingers crossed) and it clutters documentation with
unnecessary stuff
---
modules/mol/alg/pymod/chain_mapping.py | 47 --------------------------
1 file changed, 47 deletions(-)
diff --git a/modules/mol/alg/pymod/chain_mapping.py b/modules/mol/alg/pymod/chain_mapping.py
index 4aabece65..74094ac21 100644
--- a/modules/mol/alg/pymod/chain_mapping.py
+++ b/modules/mol/alg/pymod/chain_mapping.py
@@ -193,10 +193,6 @@ class ReprResult:
self._transform = None
self._superposed_mdl_bb_pos = None
self._bb_rmsd = None
- self._gdt_8 = None
- self._gdt_4 = None
- self._gdt_2 = None
- self._gdt_1 = None
self._ost_query = None
self._flat_mapping = None
self._inconsistent_residues = None
@@ -358,45 +354,6 @@ class ReprResult:
self._bb_rmsd = self.ref_bb_pos.GetRMSD(self.superposed_mdl_bb_pos)
return self._bb_rmsd
- @property
- def gdt_8(self):
- """ GDT with one single threshold: 8.0
-
- :type: :class:`float`
- """
- if self._gdt_8 is None:
- self._gdt_8 = self.ref_bb_pos.GetGDT(self.superposed_mdl_bb_pos, 8.0)
- return self._gdt_8
-
- @property
- def gdt_4(self):
- """ GDT with one single threshold: 4.0
-
- :type: :class:`float`
- """
- if self._gdt_4 is None:
- self._gdt_4 = self.ref_bb_pos.GetGDT(self.superposed_mdl_bb_pos, 4.0)
- return self._gdt_4
-
- @property
- def gdt_2(self):
- """ GDT with one single threshold: 2.0
-
- :type: :class:`float`
- """
- if self._gdt_2 is None:
- self._gdt_2 = self.ref_bb_pos.GetGDT(self.superposed_mdl_bb_pos, 2.0)
- return self._gdt_2
-
- @property
- def gdt_1(self):
- """ GDT with one single threshold: 1.0
-
- :type: :class:`float`
- """
- if self._gdt_1 is None:
- self._gdt_1 = self.ref_bb_pos.GetGDT(self.superposed_mdl_bb_pos, 1.0)
- return self._gdt_1
@property
def ost_query(self):
@@ -435,10 +392,6 @@ class ReprResult:
self.mdl_residues]
json_dict["transform"] = list(self.transform.data)
json_dict["bb_rmsd"] = self.bb_rmsd
- json_dict["gdt_8"] = self.gdt_8
- json_dict["gdt_4"] = self.gdt_4
- json_dict["gdt_2"] = self.gdt_2
- json_dict["gdt_1"] = self.gdt_1
json_dict["ost_query"] = self.ost_query
json_dict["flat_mapping"] = self.GetFlatChainMapping()
return json_dict
--
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