From bca9cd36f5f8bc6e236ceea63b14580f7cebfd98 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Tue, 2 Jan 2024 13:56:44 +0100
Subject: [PATCH] mmcif writer: remove the requirement of IOProfile
IOProfile was never used in any of the functionalities in MMCifWriter
---
modules/io/pymod/export_mmcif_io.cc | 2 +-
modules/io/src/mol/mmcif_writer.cc | 3 +--
modules/io/src/mol/mmcif_writer.hh | 3 +--
3 files changed, 3 insertions(+), 5 deletions(-)
diff --git a/modules/io/pymod/export_mmcif_io.cc b/modules/io/pymod/export_mmcif_io.cc
index fb1fbe01c..c192630ad 100644
--- a/modules/io/pymod/export_mmcif_io.cc
+++ b/modules/io/pymod/export_mmcif_io.cc
@@ -118,7 +118,7 @@ void export_mmcif_io()
.def("Write", &StarWriter::Write, arg("data_name"))
;
- class_<MMCifWriter, boost::noncopyable, bases<StarWriter> >("MMCifWriter", init<const String&, const IOProfile&>())
+ class_<MMCifWriter, boost::noncopyable, bases<StarWriter> >("MMCifWriter", init<const String&>())
.def("SetStructure", &MMCifWriter::SetStructure, (arg("ent"), arg("mmcif_conform")=true))
;
diff --git a/modules/io/src/mol/mmcif_writer.cc b/modules/io/src/mol/mmcif_writer.cc
index 728c45c34..79ff70034 100644
--- a/modules/io/src/mol/mmcif_writer.cc
+++ b/modules/io/src/mol/mmcif_writer.cc
@@ -1400,9 +1400,8 @@ int MMCifWriterEntity::GetAsymIdx(const String& asym_id) const {
throw ost::io::IOException(err);
}
-MMCifWriter::MMCifWriter(const String& filename, const IOProfile& profile):
+MMCifWriter::MMCifWriter(const String& filename):
StarWriter(filename),
- profile_(profile),
structure_set_(false) { }
void MMCifWriter::SetStructure(const ost::mol::EntityHandle& ent,
diff --git a/modules/io/src/mol/mmcif_writer.hh b/modules/io/src/mol/mmcif_writer.hh
index 3285306bd..3ff8cbffd 100644
--- a/modules/io/src/mol/mmcif_writer.hh
+++ b/modules/io/src/mol/mmcif_writer.hh
@@ -69,14 +69,13 @@ struct MMCifWriterEntity {
class DLLEXPORT_OST_IO MMCifWriter : public StarWriter {
public:
- MMCifWriter(const String& filename, const IOProfile& profile);
+ MMCifWriter(const String& filename);
virtual ~MMCifWriter() { }
void SetStructure(const ost::mol::EntityHandle& ent, bool mmcif_conform=true);
private:
- IOProfile profile_;
std::vector<MMCifWriterEntity> entity_info_;
StarWriterLoopPtr atom_type_;
StarWriterLoopPtr atom_site_;
--
GitLab