diff --git a/modules/conop/src/compound.hh b/modules/conop/src/compound.hh index c62c1aa801323cd669eca94e4f6ee0a8c3974135..e06dde4c3b15964fd191c64de25a6f673dd19ad7 100644 --- a/modules/conop/src/compound.hh +++ b/modules/conop/src/compound.hh @@ -70,12 +70,24 @@ struct DLLEXPORT_OST_CONOP Date { }; struct DLLEXPORT_OST_CONOP AtomSpec { - AtomSpec() - : ordinal(0), is_leaving(false) { + AtomSpec(): + ordinal(0), + name(), + alt_name(), + element(), + is_leaving(false), + is_aromatic() + { } AtomSpec(int o, const String& n, const String& a, const String& e, - bool l, bool r): ordinal(o), name(n), alt_name(a), element(e), - is_leaving(l), is_aromatic(r) {} + bool l, bool r): + ordinal(o), + name(n), + alt_name(a), + element(e), + is_leaving(l), + is_aromatic(r) + {} int ordinal; String name; String alt_name; @@ -93,10 +105,13 @@ struct DLLEXPORT_OST_CONOP AtomSpec { }; struct DLLEXPORT_OST_CONOP BondSpec { - BondSpec() - : atom_one(0), atom_two(0), order(1) { - + BondSpec(): + atom_one(0), + atom_two(0), + order(1) + { } + BondSpec(int a, int b, int o): atom_one(a), atom_two(b), order(o) {} bool operator==(const BondSpec& rhs) const { return atom_one==rhs.atom_one && atom_two==rhs.atom_two; @@ -126,8 +141,19 @@ public: AMBER ='A', } Dialect; - Compound(const String& id) - : olc_('?'), tlc_(id), chem_class_(), chem_type_(), dialect_(Compound::PDB){ + Compound(const String& id): + olc_('?'), + tlc_(id), + formula_(), + name_(), + atom_specs_(), + bond_specs_(), + chem_class_(), + chem_type_(), + dialect_(Compound::PDB), + creation_date_(), + mod_date_() + { } /// \brief three-letter code that is unique for every compound diff --git a/modules/conop/src/compound_lib.cc b/modules/conop/src/compound_lib.cc index 90e5df87c00ecc2aa8714bcb6df499ad878d4c09..35c60e0c3fa133d9cc11165273d30e760dd77790 100644 --- a/modules/conop/src/compound_lib.cc +++ b/modules/conop/src/compound_lib.cc @@ -476,8 +476,15 @@ CompoundPtr CompoundLib::FindCompound(const String& id, return CompoundPtr(); } -CompoundLib::CompoundLib() - : conn_(NULL), chem_type_available_(false) { +CompoundLib::CompoundLib(): + CompoundLibBase(), + compound_cache_(), + conn_(NULL), + chem_type_available_(false), + name_available_(), + creation_date_(), + ost_version_used_() +{ } CompoundLib::~CompoundLib() { diff --git a/modules/conop/src/conop.cc b/modules/conop/src/conop.cc index 58fc349b6df596e1bfc3de56396169ce2649eeef..7ca7d961dae49164d3ff39d7027ab3ed648850da 100644 --- a/modules/conop/src/conop.cc +++ b/modules/conop/src/conop.cc @@ -32,7 +32,9 @@ Conopology& Conopology::Instance() return impl; } -Conopology::Conopology() +Conopology::Conopology(): + known_elements_(), + lib_() { known_elements_.insert("AC"); diff --git a/modules/conop/src/conop.hh b/modules/conop/src/conop.hh index 34f58e080f97384df0bfc9ca7db6ee2ab3f6220c..69a4c92204e322231d9b01c022c8de46f7536070 100644 --- a/modules/conop/src/conop.hh +++ b/modules/conop/src/conop.hh @@ -39,13 +39,19 @@ public: // returns the default compound library (if any) CompoundLibPtr GetDefaultLib() const { return lib_; } - void SetDefaultLib(const CompoundLibPtr& lib) { lib_ = lib; } + void SetDefaultLib(const CompoundLibPtr& lib) + { + lib_ = lib; + } bool IsValidElement(const String& element) const; private: Conopology(); - Conopology(const Conopology&) {} + Conopology(const Conopology&): + known_elements_(), + lib_() + {} Conopology& operator=(const Conopology&) {return *this;} std::set<String> known_elements_; diff --git a/modules/conop/src/heuristic.hh b/modules/conop/src/heuristic.hh index a0a7b60ff626b9e72c10f41b09237d14e00f8a6d..40dbdb878f10a41f50dd498437a53d86dad011f9 100644 --- a/modules/conop/src/heuristic.hh +++ b/modules/conop/src/heuristic.hh @@ -33,13 +33,18 @@ typedef boost::shared_ptr<HeuristicProcessor> HeuristicProcessorPtr; class DLLEXPORT_OST_CONOP HeuristicProcessor : public Processor { public: - HeuristicProcessor() { + HeuristicProcessor(): + Processor(), + lib_() + { } virtual ProcessorPtr Copy() const { return ProcessorPtr(new HeuristicProcessor(*this)); } HeuristicProcessor(bool bf, bool at, bool cn, bool aa, ConopAction zo): - Processor(bf, at, cn, aa, zo) {} + Processor(bf, at, cn, aa, zo), + lib_() + {} virtual String ToString() const; protected: diff --git a/modules/conop/src/minimal_compound_lib.hh b/modules/conop/src/minimal_compound_lib.hh index 208011545b6c7405c932207fdb2f5b2d83b4c289..b0defbabaae9fafa9ca9f5c49142879c5c32e590 100644 --- a/modules/conop/src/minimal_compound_lib.hh +++ b/modules/conop/src/minimal_compound_lib.hh @@ -13,7 +13,9 @@ typedef boost::shared_ptr<MinimalCompoundLib> MinimalCompoundLibPtr; // amino acids and standard nucleotides class DLLEXPORT_OST_CONOP MinimalCompoundLib : public CompoundLibBase { public: - MinimalCompoundLib() {} + MinimalCompoundLib(): + CompoundLibBase() + {} virtual CompoundPtr FindCompound(const String& id, Compound::Dialect dialect) const; private: diff --git a/modules/io/src/mol/io_profile.cc b/modules/io/src/mol/io_profile.cc index d27f3918f055cc12b754c4b9e84c1a80efaaacc4..e48837e80bdae1322f715e87596c28291b6655d4 100644 --- a/modules/io/src/mol/io_profile.cc +++ b/modules/io/src/mol/io_profile.cc @@ -8,7 +8,8 @@ IOProfileRegistry& IOProfileRegistry::Instance() return reg; } -IOProfileRegistry::IOProfileRegistry() +IOProfileRegistry::IOProfileRegistry(): + profiles_() { profiles_["DEFAULT"]=IOProfile(); }