From a46234b7a5c69d6ba960bab3af59165fee801b0f Mon Sep 17 00:00:00 2001
From: Marco Biasini <marco.biasini@unibas.ch>
Date: Sat, 7 May 2011 00:41:17 +0200
Subject: [PATCH] issue better error when PDBWriter can't create the file
---
modules/io/src/mol/pdb_writer.cc | 15 ++++++++++++---
modules/io/src/mol/pdb_writer.hh | 1 +
2 files changed, 13 insertions(+), 3 deletions(-)
diff --git a/modules/io/src/mol/pdb_writer.cc b/modules/io/src/mol/pdb_writer.cc
index 8878fb16d..98022a0a5 100644
--- a/modules/io/src/mol/pdb_writer.cc
+++ b/modules/io/src/mol/pdb_writer.cc
@@ -339,13 +339,14 @@ PDBWriter::PDBWriter(const boost::filesystem::path& filename,
#endif
mol_count_(0), line_(80), multi_model_(false),
charmm_style_(profile.dialect=="CHARMM"), is_pqr_(false),
- profile_(profile)
-{}
+ profile_(profile), filename_("")
+{
+}
PDBWriter::PDBWriter(const String& filename, const IOProfile& profile):
outfile_(filename.c_str()), outstream_(outfile_), mol_count_(0), line_(80),
multi_model_(false), charmm_style_(profile.dialect=="CHARMM"),
- is_pqr_(false), profile_(profile)
+ is_pqr_(false), profile_(profile), filename_(filename)
{}
void PDBWriter::WriteModelLeader()
@@ -368,6 +369,14 @@ void PDBWriter::WriteModelTrailer()
template <typename H>
void PDBWriter::WriteModel(H ent)
{
+ if (!outstream_) {
+ if (!filename_.empty()) {
+ std::stringstream ss;
+ ss << "Can't write PDB to file '" << filename_ << "'";
+ throw IOException(ss.str());
+ }
+ throw IOException("Can't write PDB. Bad stream");
+ }
ForcePOSIX posix;
this->WriteModelLeader();
PDBWriterImpl writer(outstream_,line_, atom_indices_, charmm_style_);
diff --git a/modules/io/src/mol/pdb_writer.hh b/modules/io/src/mol/pdb_writer.hh
index c849fd279..b0e70a89f 100644
--- a/modules/io/src/mol/pdb_writer.hh
+++ b/modules/io/src/mol/pdb_writer.hh
@@ -75,6 +75,7 @@ private:
bool charmm_style_;
bool is_pqr_;
IOProfile profile_;
+ String filename_;
};
}}
--
GitLab