From c5331bdb99aa7f84b817524b7f1e0846c81ba85d Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Mon, 4 Feb 2019 11:33:41 +0100
Subject: [PATCH] Allow running the Processor with PDBStrToEntity.
---
modules/io/pymod/export_pdb_io.cc | 4 +++-
modules/io/src/mol/pdb_str.cc | 6 +++++-
modules/io/src/mol/pdb_str.hh | 3 ++-
3 files changed, 10 insertions(+), 3 deletions(-)
diff --git a/modules/io/pymod/export_pdb_io.cc b/modules/io/pymod/export_pdb_io.cc
index 752647f67..6aa26d96f 100644
--- a/modules/io/pymod/export_pdb_io.cc
+++ b/modules/io/pymod/export_pdb_io.cc
@@ -98,7 +98,9 @@ void export_pdb_io()
def("EntityToPDBStr", pdb_str_b,
(arg("entity"), arg("profile")=IOProfile()));
- def("PDBStrToEntity", &PDBStringToEntity, (arg("pdb_string"),arg("profile")=IOProfile()));
+ def("PDBStrToEntity", &PDBStringToEntity, (arg("pdb_string"),
+ arg("profile")=IOProfile(),
+ arg("process")=false));
// we need to make sure there are no pending references to Python objects
// tied to the IOProfileRegistry singleton. The destructor of
diff --git a/modules/io/src/mol/pdb_str.cc b/modules/io/src/mol/pdb_str.cc
index 7168dfb16..3884fb268 100644
--- a/modules/io/src/mol/pdb_str.cc
+++ b/modules/io/src/mol/pdb_str.cc
@@ -37,11 +37,15 @@ String EntityToPDBString(const mol::EntityView& ent, const IOProfile& profile) {
return stream.str();
}
-mol::EntityHandle PDBStringToEntity(const String& pdb, const IOProfile& profile) {
+mol::EntityHandle PDBStringToEntity(const String& pdb, const IOProfile& profile,
+ bool process) {
std::stringstream stream(pdb);
PDBReader reader(stream, profile);
mol::EntityHandle ent = mol::CreateEntity();
reader.Import(ent);
+ if(profile.processor && process) {
+ profile.processor->Process(ent);
+ }
return ent;
}
diff --git a/modules/io/src/mol/pdb_str.hh b/modules/io/src/mol/pdb_str.hh
index d376dce59..a2f070850 100644
--- a/modules/io/src/mol/pdb_str.hh
+++ b/modules/io/src/mol/pdb_str.hh
@@ -34,7 +34,8 @@ String DLLEXPORT_OST_IO
EntityToPDBString(const mol::EntityView& ent, const IOProfile& profile=IOProfile());
mol::EntityHandle DLLEXPORT_OST_IO
-PDBStringToEntity(const String& pdb, const IOProfile& profile=IOProfile());
+PDBStringToEntity(const String& pdb, const IOProfile& profile=IOProfile(),
+ bool process=false);
}}
--
GitLab