Add a Chem MessagePack format as a subclass of CJSON

Signed-off-by: Geoff Hutchison <[email protected]>

avogadro/io/CMakeLists.txt

@@ -3,6 +3,7 @@ add_library(IO)
 avogadro_headers(IO
   cjsonformat.h
   cmlformat.h
+  cmsgpackformat.h
   dcdformat.h
   fileformat.h
   fileformatmanager.h
@@ -19,6 +20,7 @@ avogadro_headers(IO
 target_sources(IO PRIVATE
   cjsonformat.cpp
   cmlformat.cpp
+  cmsgpackformat.cpp
   dcdformat.cpp
   fileformat.cpp
   fileformatmanager.cpp

avogadro/io/cjsonformat.cpp

@@ -1043,7 +1043,10 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule)
   }
 
   // Write out the file, use a two space indent to "pretty print".
-  file << std::setw(2) << root;
+  if (m_json)
+    file << std::setw(2) << root;
+  else // write msgpack
+    json::to_msgpack(root, file);
 
   return true;
 }

avogadro/io/cjsonformat.h

@@ -41,14 +41,17 @@ class AVOGADROIO_EXPORT CjsonFormat : public FileFormat
 
   std::string specificationUrl() const override
   {
-    return "http://wiki.openchemistry.org/Chemical_JSON";
+    return "https://github.com/openchemistry/chemicaljson";
   }
 
   std::vector<std::string> fileExtensions() const override;
   std::vector<std::string> mimeTypes() const override;
 
   bool read(std::istream& in, Core::Molecule& molecule) override;
   bool write(std::ostream& out, const Core::Molecule& molecule) override;
+
+  // write JSON or MessagePack
+  bool m_json = true;
 };
 
 } // end Io namespace

avogadro/io/cmsgpackformat.cpp

@@ -0,0 +1,30 @@
+/******************************************************************************
+  This source file is part of the Avogadro project.
+  This source code is released under the 3-Clause BSD License, (see "LICENSE").
+******************************************************************************/
+
+#include "cmsgpackformat.h"
+
+using namespace std;
+
+namespace Avogadro::Io {
+
+CMsgPackFormat::CMsgPackFormat() = default;
+
+CMsgPackFormat::~CMsgPackFormat() = default;
+
+vector<std::string> CMsgPackFormat::fileExtensions() const
+{
+  vector<std::string> ext;
+  ext.emplace_back("cmpk");
+  return ext;
+}
+
+vector<std::string> CMsgPackFormat::mimeTypes() const
+{
+  vector<std::string> mime;
+  mime.emplace_back("chemical/x-cmpack");
+  return mime;
+}
+
+} // namespace Avogadro::Io

avogadro/io/cmsgpackformat.h

@@ -0,0 +1,58 @@
+/******************************************************************************
+  This source file is part of the Avogadro project.
+  This source code is released under the 3-Clause BSD License, (see "LICENSE").
+******************************************************************************/
+
+#ifndef AVOGADRO_IO_CMSGPACKFORMAT_H
+#define AVOGADRO_IO_CMSGPACKFORMAT_H
+
+#include "fileformat.h"
+#include "cjsonformat.h"
+
+namespace Avogadro {
+namespace Core {
+class GaussianSet;
+}
+namespace Io {
+
+/**
+ * @class CMsgPackFormat cmsgpackformat.h <avogadro/io/cmsgpackformat.h>
+ * @brief Implementation of the Chemical MessagePack format.
+ */
+
+class AVOGADROIO_EXPORT CMsgPackFormat : public CjsonFormat
+{
+public:
+  CMsgPackFormat();
+  ~CMsgPackFormat() override;
+
+  Operations supportedOperations() const override
+  {
+    return ReadWrite | File | Stream | String;
+  }
+
+  FileFormat* newInstance() const override { return new CMsgPackFormat; }
+  std::string identifier() const override { return "Avogadro: CMsgPack"; }
+  std::string name() const override { return "Chemical MessagePack"; }
+  std::string description() const override
+  {
+    return "CMsgPack format is a lightweight intermediate format used to exchange "
+           "information between Avogadro and other data parsing applications";
+  }
+
+  std::string specificationUrl() const override
+  {
+    return "https://github.com/openchemistry/chemicaljson";
+  }
+
+  std::vector<std::string> fileExtensions() const override;
+  std::vector<std::string> mimeTypes() const override;
+
+  // write MessagePack
+  bool m_json = false;
+};
+
+} // end Io namespace
+} // end Avogadro namespace
+
+#endif // AVOGADRO_IO_CMSGPACKFORMAT_H