diff --git a/modules/conop/src/ring_finder.cc b/modules/conop/src/ring_finder.cc index 96f0c5378974c0ed4de63fb6341ac45e0f6aef20..04351f1d4b4f2875f5b5a59b4891a17e93ee8068 100755 --- a/modules/conop/src/ring_finder.cc +++ b/modules/conop/src/ring_finder.cc @@ -16,6 +16,8 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ +#include <ost/mol/mol.hh> + #include "ring_finder.hh" namespace ost { namespace conop { diff --git a/modules/conop/src/ring_finder.hh b/modules/conop/src/ring_finder.hh index 599dfadf936d1a31034f4b02911e311476e833c7..e617e85c1c62a6afbf7790fa266ce92c126f754f 100755 --- a/modules/conop/src/ring_finder.hh +++ b/modules/conop/src/ring_finder.hh @@ -24,7 +24,8 @@ */ #include <ost/conop/module_config.hh> -#include <ost/mol/mol.hh> +#include <ost/mol/entity_handle.hh> +#include <ost/mol/entity_view.hh> #include <map> namespace ost { namespace conop { diff --git a/modules/gfx/src/impl/backbone_trace.hh b/modules/gfx/src/impl/backbone_trace.hh index 1e0c6c1c71b832c641352817e3ae729856dfb240..2dfd97e4cf8668512b51784ebd199bb7183810f7 100644 --- a/modules/gfx/src/impl/backbone_trace.hh +++ b/modules/gfx/src/impl/backbone_trace.hh @@ -23,7 +23,7 @@ Authors: Ansgar Philippsen, Marco Biasini */ -#include <ost/mol/mol.hh> +#include <ost/mol/entity_view.hh> #include <ost/gfx/module_config.hh> #include <ost/gfx/impl/entity_detail.hh> diff --git a/modules/gfx/src/impl/entity_detail.cc b/modules/gfx/src/impl/entity_detail.cc index 252da9743f5f06ea14aa621e4a37e38d8e64543f..3069077f4ea17e615aaf112742d993f1fc7a1bfa 100644 --- a/modules/gfx/src/impl/entity_detail.cc +++ b/modules/gfx/src/impl/entity_detail.cc @@ -17,6 +17,7 @@ // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ +#include <ost/mol/atom_view.hh> #include <ost/gfx/gl_helper.hh> #include <ost/gfx/scene.hh> #include <ost/gfx/color.hh> diff --git a/modules/gfx/src/impl/entity_detail.hh b/modules/gfx/src/impl/entity_detail.hh index 4fc64525b9d7aaceb6cb990db17830a2b8f70941..5905d6b870ebeda937cde84a7eb9c4e85dd481bb 100644 --- a/modules/gfx/src/impl/entity_detail.hh +++ b/modules/gfx/src/impl/entity_detail.hh @@ -26,8 +26,8 @@ #include <ost/geom/geom.hh> -#include <ost/mol/mol.hh> -#include <ost/mol/entity_view.hh> +#include <ost/mol/atom_handle.hh> +#include <ost/mol/bond_handle.hh> #include <ost/mol/query.hh> #include <ost/gfx/module_config.hh> diff --git a/modules/gfx/src/impl/mapped_property.hh b/modules/gfx/src/impl/mapped_property.hh index 8ea37e670450b9f3b65d3f38723f95dbb22b27dc..096e775667f130c9e76e6c70625231dd171cc32e 100644 --- a/modules/gfx/src/impl/mapped_property.hh +++ b/modules/gfx/src/impl/mapped_property.hh @@ -23,7 +23,7 @@ Author: Marco Biasini */ -#include <ost/mol/mol.hh> +#include <ost/mol/entity_view.hh> #if OST_IMG_ENABLED #include <ost/img/map.hh> #endif diff --git a/modules/gfx/src/prim_list.cc b/modules/gfx/src/prim_list.cc index 0d1b288fbe7858e75f36e338a8249b70a6e43a8f..5486ccaed82dcecbce81d9d3b56fcc4a00abe314 100644 --- a/modules/gfx/src/prim_list.cc +++ b/modules/gfx/src/prim_list.cc @@ -20,6 +20,8 @@ Author: Ansgar Philippsen */ +#include <ost/mol/atom_handle.hh> + #include "scene.hh" #include "prim_list.hh" diff --git a/modules/gfx/src/scene.hh b/modules/gfx/src/scene.hh index bad00b954ae9c20f33332a5945021b4d88059b11..a7a773a714aada269398bf435908dc520ec4f98d 100644 --- a/modules/gfx/src/scene.hh +++ b/modules/gfx/src/scene.hh @@ -31,13 +31,13 @@ #include <ost/gfx/module_config.hh> #include <ost/mol/transform.hh> +#include <ost/mol/atom_handle.hh> #include "gl_include.hh" #include "color.hh" #include "gfx_object_fw.hh" #include "gfx_node_fw.hh" #include "gfx_node_visitor.hh" -#include "selection.hh" #include "glwin_base.hh" #include "scene_observer.hh" #include "gfx_prim.hh" diff --git a/modules/gfx/src/surface.hh b/modules/gfx/src/surface.hh index b3bea4b5311d57b0fdffcf6e35bb751887943f32..bb1f4492b03fcb1723f7e575079d405330a494a1 100644 --- a/modules/gfx/src/surface.hh +++ b/modules/gfx/src/surface.hh @@ -29,7 +29,6 @@ #include <ost/config.hh> #include <ost/mol/surface.hh> -#include <ost/mol/mol.hh> #include "gfx_object.hh" #include "vertex_array.hh" diff --git a/modules/gui/src/gl_canvas.hh b/modules/gui/src/gl_canvas.hh index d33b41151c42acf1aa5b19da0c4d1e6109d85a3a..ad84d2b5c1e175d062a63e9f4946d39206c35d3a 100644 --- a/modules/gui/src/gl_canvas.hh +++ b/modules/gui/src/gl_canvas.hh @@ -20,10 +20,6 @@ #define OST_GUI_GL_CANVAS_HH -// must come before QGLWidget -#include <ost/mol/mol.hh> - - // Qt includes must come last #include <QGLWidget> #include <QTime> diff --git a/modules/gui/src/scene_menu.hh b/modules/gui/src/scene_menu.hh index 5c009cba60a08b595845014e0e38ea9e196d740a..68fc6421f363d881bfa51e53c3077a5f053da010 100644 --- a/modules/gui/src/scene_menu.hh +++ b/modules/gui/src/scene_menu.hh @@ -20,7 +20,7 @@ #define OST_GUI_SCENE_MENU_HH -#include <ost/mol/mol.hh> +#include <ost/mol/atom_handle.hh> #include <ost/gfx/gfx_object_fw.hh> #include <QObject> diff --git a/modules/io/src/io_manager.hh b/modules/io/src/io_manager.hh index a0ef542b26334974c8b308853631bf6c1e97e509..bfebe32bdb476e41d5b69f675476509d9fab6881 100644 --- a/modules/io/src/io_manager.hh +++ b/modules/io/src/io_manager.hh @@ -23,7 +23,6 @@ #include <ost/config.hh> #include <ost/io/module_config.hh> -#include <ost/mol/mol.hh> #include <ost/io/mol/entity_io_handler.hh> #include <ost/io/seq/sequence_io_handler.hh> diff --git a/modules/io/src/mol/chemdict_parser.hh b/modules/io/src/mol/chemdict_parser.hh index 9f36c693c41ef2d5ad940cf0f5e702b1e94991b3..4df2f4e2ddc0e7425c7c10704d88d39acb1198c9 100644 --- a/modules/io/src/mol/chemdict_parser.hh +++ b/modules/io/src/mol/chemdict_parser.hh @@ -24,7 +24,7 @@ */ -#include <ost/mol/mol.hh> +#include <ost/mol/chem_class.hh> #include <ost/io/mol/star_parser.hh> #include <ost/conop/compound_lib.hh> diff --git a/modules/io/src/mol/entity_io_crd_handler.hh b/modules/io/src/mol/entity_io_crd_handler.hh index d8758545d61e6b85800d23e81850336b7d1dea23..714a1d4019128264bd330e70468631772870e29c 100644 --- a/modules/io/src/mol/entity_io_crd_handler.hh +++ b/modules/io/src/mol/entity_io_crd_handler.hh @@ -23,6 +23,11 @@ CHARMM coordinate file import Author: Ansgar Philippsen */ + +#include <ost/mol/entity_handle.hh> +#include <ost/mol/chain_handle.hh> +#include <ost/mol/residue_handle.hh> +#include <ost/mol/entity_visitor.hh> #include <ost/io/mol/entity_io_handler.hh> #include <boost/iostreams/filtering_stream.hpp> diff --git a/modules/io/src/mol/entity_io_handler.hh b/modules/io/src/mol/entity_io_handler.hh index 903c8f70513f5e7f3a2823886b22e1866484b1e0..c65137e185e017ad01ec1d629c1b4dd88b453c0c 100644 --- a/modules/io/src/mol/entity_io_handler.hh +++ b/modules/io/src/mol/entity_io_handler.hh @@ -25,9 +25,17 @@ #include <ost/io/module_config.hh> #include <ost/io/io_utils.hh> -#include <ost/mol/mol.hh> -namespace ost { namespace io { +namespace ost { + +namespace mol { + +class EntityView; +class EntityHandle; + +} + +namespace io { //! pure abstract base class for entity io handlers class DLLEXPORT_OST_IO EntityIOHandler { diff --git a/modules/io/src/mol/entity_io_mae_handler.hh b/modules/io/src/mol/entity_io_mae_handler.hh index 4921b9dafb0948dccc445f49d976c8db162378c9..5b06f96bf46a91acfc37a4beaff2b38ed90e71f5 100644 --- a/modules/io/src/mol/entity_io_mae_handler.hh +++ b/modules/io/src/mol/entity_io_mae_handler.hh @@ -19,6 +19,10 @@ #ifndef OST_IO_ENTITY_IO_PLUGIN_MAE_H #define OST_IO_ENTITY_IO_PLUGIN_MAE_H + +#include <ost/mol/entity_handle.hh> +#include <ost/mol/chain_handle.hh> +#include <ost/mol/residue_handle.hh> #include <ost/io/mol/entity_io_handler.hh> #include <boost/iostreams/filtering_stream.hpp> diff --git a/modules/io/src/mol/load_entity.cc b/modules/io/src/mol/load_entity.cc index d760d7727a791e90cee20ab7bcd77ef061c22841..6fdfa57576b4c655b744955ae02dd30809cd100e 100644 --- a/modules/io/src/mol/load_entity.cc +++ b/modules/io/src/mol/load_entity.cc @@ -20,7 +20,7 @@ #include <ost/conop/conop.hh> #include "load_entity.hh" - +#include <ost/mol/xcs_editor.hh> #include <ost/io/io_manager.hh> #include <ost/io/mol/entity_io_handler.hh> #include <ost/profile.hh> diff --git a/modules/io/src/mol/load_entity.hh b/modules/io/src/mol/load_entity.hh index aba8f0e44c9e77f980023eacd2fdcb33b9d4f4f6..0a38c07afbfeaac506badf1445606a101d670a70 100644 --- a/modules/io/src/mol/load_entity.hh +++ b/modules/io/src/mol/load_entity.hh @@ -20,7 +20,7 @@ #define OST_IO_LOAD_ENTITY_H #include <ost/io/module_config.hh> -#include <ost/mol/mol.hh> +#include <ost/mol/entity_handle.hh> namespace ost { namespace io { diff --git a/modules/io/src/mol/pdb_reader.hh b/modules/io/src/mol/pdb_reader.hh index b3b6d6d0d84b4127939e0bd9e2cc293c02f1e7c5..eacd276f641771ab2d988c3bfd57723cf9e98da7 100644 --- a/modules/io/src/mol/pdb_reader.hh +++ b/modules/io/src/mol/pdb_reader.hh @@ -25,8 +25,13 @@ #include <boost/iostreams/filtering_stream.hpp> #include <boost/filesystem/fstream.hpp> #include <ost/string_ref.hh> -#include <ost/mol/mol.hh> + +#include <ost/mol/residue_handle.hh> +#include <ost/mol/entity_handle.hh> +#include <ost/mol/chain_handle.hh> +#include <ost/mol/atom_handle.hh> #include <ost/mol/xcs_editor.hh> + #include <ost/io/module_config.hh> #include <ost/io/mol/io_profile.hh> namespace ost { namespace io { diff --git a/modules/io/src/mol/pdb_writer.cc b/modules/io/src/mol/pdb_writer.cc index 31359bbae761d3eb18b57f3feaad71a2133c1d5d..cc7257f258c8a660141512d0ffb1ea1573f31be6 100644 --- a/modules/io/src/mol/pdb_writer.cc +++ b/modules/io/src/mol/pdb_writer.cc @@ -24,7 +24,10 @@ #include <string.h> #include <ost/io/io_exception.hh> - +#include <ost/mol/atom_handle.hh> +#include <ost/mol/residue_handle.hh> +#include <ost/mol/chain_handle.hh> +#include <ost/mol/entity_visitor.hh> #include "pdb_writer.hh" using boost::format; diff --git a/modules/io/src/mol/pdb_writer.hh b/modules/io/src/mol/pdb_writer.hh index c34e1581491aeb253722eb373567a92a3f948b4d..c849fd279eb1581f43616f04df8dffbb8c8a78c2 100644 --- a/modules/io/src/mol/pdb_writer.hh +++ b/modules/io/src/mol/pdb_writer.hh @@ -28,13 +28,20 @@ #include <boost/filesystem/fstream.hpp> #include <boost/iostreams/filtering_stream.hpp> -#include <ost/mol/mol.hh> - #include <ost/io/module_config.hh> #include <ost/io/formatted_line.hh> #include <ost/io/mol/io_profile.hh> -namespace ost { namespace io { +namespace ost { + +namespace mol { + +class EntityView; +class EntityHandle; + +} + +namespace io { class DLLEXPORT_OST_IO PDBWriter { public: diff --git a/modules/io/src/mol/save_entity.cc b/modules/io/src/mol/save_entity.cc index 5d5c30e9e0599e4fd43f2fd779b3017bf6a34bd6..23aa1978209d4a241f0b539e05f3376292a252aa 100644 --- a/modules/io/src/mol/save_entity.cc +++ b/modules/io/src/mol/save_entity.cc @@ -16,9 +16,12 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ -#include "save_entity.hh" #include <ost/log.hh> #include <ost/io/io_manager.hh> +#include <ost/mol/entity_handle.hh> +#include <ost/mol/entity_view.hh> + +#include "save_entity.hh" namespace ost { namespace io { diff --git a/modules/io/src/mol/save_entity.hh b/modules/io/src/mol/save_entity.hh index a5cf1276c0d1890ca59decb3c5a1b51674a493b5..033890c9617f83ffd4edafea98f5769302a145f4 100644 --- a/modules/io/src/mol/save_entity.hh +++ b/modules/io/src/mol/save_entity.hh @@ -18,10 +18,18 @@ //------------------------------------------------------------------------------ #ifndef OST_IO_SAVE_ENTITY_HH #define OST_IO_SAVE_ENTITY_HH + #include <ost/io/module_config.hh> -#include <ost/mol/mol.hh> -namespace ost { namespace io { +namespace ost { + +namespace mol { + +class EntityHandle; +class EntityView; +} + +namespace io { /// \brief Save entity handle /// \param en is the entity to be saved diff --git a/modules/io/src/mol/sdf_reader.cc b/modules/io/src/mol/sdf_reader.cc index 10020f079e1f0bb4760c33a5a44bd9e0fe2ca092..6a2603d0d2f877ad1004dc8701c5d6c4d358829c 100644 --- a/modules/io/src/mol/sdf_reader.cc +++ b/modules/io/src/mol/sdf_reader.cc @@ -23,7 +23,7 @@ #include <boost/algorithm/string.hpp> #include <boost/format.hpp> #include <boost/lexical_cast.hpp> - +#include <ost/mol/bond_handle.hh> #include <ost/conop/conop.hh> #include <ost/io/io_exception.hh> #include <ost/log.hh> diff --git a/modules/io/src/mol/sdf_reader.hh b/modules/io/src/mol/sdf_reader.hh index 14c3f5b2ce38822ef5b28d6b346356b11b3e6df8..d90bb9d1abba33672eb76860cb68de9416c8d32d 100644 --- a/modules/io/src/mol/sdf_reader.hh +++ b/modules/io/src/mol/sdf_reader.hh @@ -23,7 +23,8 @@ #define OST_IO_SDF_READER_HH #include <boost/filesystem/fstream.hpp> -#include <ost/mol/mol.hh> +#include <ost/mol/chain_handle.hh> +#include <ost/mol/residue_handle.hh> #include <ost/io/module_config.hh> namespace ost { namespace io { diff --git a/modules/io/src/mol/sdf_writer.cc b/modules/io/src/mol/sdf_writer.cc index 5f03e13376c594e812efc18540fd65afa869541b..1b59aa34c78d85c2c804a3e2de7dcb2da049561c 100644 --- a/modules/io/src/mol/sdf_writer.cc +++ b/modules/io/src/mol/sdf_writer.cc @@ -21,6 +21,11 @@ */ #include "sdf_writer.hh" + +#include <ost/mol/atom_view.hh> +#include <ost/mol/residue_view.hh> +#include <ost/mol/chain_view.hh> +#include <ost/mol/bond_handle.hh> #include <boost/regex.hpp> namespace ost { namespace io { diff --git a/modules/io/src/mol/sdf_writer.hh b/modules/io/src/mol/sdf_writer.hh index 3a4d611f94d57a8a7db81c552cbf0d79637e4493..02e29464974f4e3c21726c4e5f2cce35b764ff9d 100644 --- a/modules/io/src/mol/sdf_writer.hh +++ b/modules/io/src/mol/sdf_writer.hh @@ -34,7 +34,7 @@ #include <ost/log.hh> #include <ost/conop/conop.hh> #include <ost/io/io_exception.hh> -#include <ost/mol/mol.hh> +#include <ost/mol/entity_visitor.hh> namespace ost { namespace io { diff --git a/modules/mol/alg/pymod/export_svd_superpose.cc b/modules/mol/alg/pymod/export_svd_superpose.cc index 0f1e5098de570848d7f2eec472607f7b97a60428..a02b7ff63dae95b1a24bb23593c8f7fa1b7c9841 100644 --- a/modules/mol/alg/pymod/export_svd_superpose.cc +++ b/modules/mol/alg/pymod/export_svd_superpose.cc @@ -21,10 +21,15 @@ * Author Juergen Haas */ #include <boost/python.hpp> -using namespace boost::python; -#include <ost/mol/alg/svd_superpose.hh> + #include <ost/geom/mat4.hh> +#include <ost/mol/alg/svd_superpose.hh> +#include <ost/mol/entity_handle.hh> +#include <ost/mol/iterator.hh> + #include <boost/python/suite/indexing/vector_indexing_suite.hpp> + +using namespace boost::python; using namespace ost; using namespace ost::mol::alg; diff --git a/modules/mol/alg/src/svd_superpose.cc b/modules/mol/alg/src/svd_superpose.cc index 46cc82acf93a872cec73bda1c05888713a6a30dd..ef3d4de2538e7a86db94ba4602c2be0e08b0ccc5 100644 --- a/modules/mol/alg/src/svd_superpose.cc +++ b/modules/mol/alg/src/svd_superpose.cc @@ -35,7 +35,8 @@ #include <ost/mol/alg/svd_superpose.hh> #include <ost/mol/xcs_editor.hh> #include <ost/mol/view_op.hh> - +#include <ost/mol/atom_view.hh> +#include <ost/mol/iterator.hh> namespace ost { namespace mol { namespace alg { diff --git a/modules/mol/alg/src/svd_superpose.hh b/modules/mol/alg/src/svd_superpose.hh index 4f404e78060c152bbf74f10b3733b29b97b8e75c..3580055cae58f4e1d4e5c5f4dce72fc2c1547e94 100644 --- a/modules/mol/alg/src/svd_superpose.hh +++ b/modules/mol/alg/src/svd_superpose.hh @@ -25,10 +25,14 @@ #include <ost/base.hh> #include <ost/geom/geom.hh> -#include <ost/mol/mol.hh> +#include <ost/mol/entity_view.hh> #include <ost/mol/alg/module_config.hh> -namespace ost { namespace mol { namespace alg { +namespace ost { namespace mol { + +class EntityHandle; + +namespace alg { /// \brief stores the number of cycles and the two final EntityViews /// (in case IterativeSuperposition was applied), diff --git a/modules/mol/alg/tests/test_superposition.cc b/modules/mol/alg/tests/test_superposition.cc index bc10f041260fc0586195c3191d61ebda31f020ee..a0d4d230914fe6842c50b670af67ad82044ed70b 100644 --- a/modules/mol/alg/tests/test_superposition.cc +++ b/modules/mol/alg/tests/test_superposition.cc @@ -23,8 +23,7 @@ #include <ost/mol/alg/svd_superpose.hh> #define BOOST_TEST_DYN_LINK #include <boost/test/unit_test.hpp> -#include <ost/mol/entity_handle.hh> - +#include <ost/mol/mol.hh> using namespace ost; using namespace ost::mol; diff --git a/modules/mol/base/src/atom_base.hh b/modules/mol/base/src/atom_base.hh index 18aec4a3946dcfbb12d59fa28441f63af6b51da4..8d19514af07c9e58536cf505ee7f51f11098dd52 100644 --- a/modules/mol/base/src/atom_base.hh +++ b/modules/mol/base/src/atom_base.hh @@ -19,8 +19,9 @@ #ifndef OST_ATOM_BASE_HH #define OST_ATOM_BASE_HH -#include <ost/mol/module_config.hh> #include <ost/geom/vec3.hh> + +#include <ost/mol/module_config.hh> #include <ost/mol/impl/atom_impl_fw.hh> #include <ost/generic_property.hh> diff --git a/modules/mol/base/src/atom_view.cc b/modules/mol/base/src/atom_view.cc index d12073b9ff9c4a7a1ebf00208fc01376c98253c7..2d81e4aec04be48a8310209fc05250139e71709e 100644 --- a/modules/mol/base/src/atom_view.cc +++ b/modules/mol/base/src/atom_view.cc @@ -23,6 +23,7 @@ #include "atom_view.hh" #include "residue_view.hh" +#include <ost/mol/bond_handle.hh> #include <ost/mol/atom_handle.hh> #include <ost/mol/impl/atom_impl.hh> #include <ost/mol/entity_visitor.hh> diff --git a/modules/mol/base/src/bond_table.hh b/modules/mol/base/src/bond_table.hh index b0845c05800e5f538ac0ba3e63d6494192ac136c..0ddd6d0fecdffaa30313510abf8640bcb66cba9f 100644 --- a/modules/mol/base/src/bond_table.hh +++ b/modules/mol/base/src/bond_table.hh @@ -20,7 +20,9 @@ #define OST_BOND_TABLE_HH #include <map> + #include <ost/mol/impl/connector_impl_fw.hh> +#include <ost/mol/bond_handle.hh> namespace ost { namespace mol { diff --git a/modules/mol/base/src/bounding_box.hh b/modules/mol/base/src/bounding_box.hh index 010d6001de2fab1e7902252a153ed61fec4b39ea..069ff39b99f7b16c076eb8beb007fe65041c4522 100644 --- a/modules/mol/base/src/bounding_box.hh +++ b/modules/mol/base/src/bounding_box.hh @@ -26,6 +26,9 @@ */ namespace ost { namespace mol { +class EntityHandle; +class EntityView; + /// \name create bounding box from entity //@{ /// \brief create bounding box from entity handle diff --git a/modules/mol/base/src/chain_view.cc b/modules/mol/base/src/chain_view.cc index 97f69b08176876f66dd4eaf415060afd941cd6e6..b940a37ee37dd8f82c302ba4b5a51119169cb6f6 100644 --- a/modules/mol/base/src/chain_view.cc +++ b/modules/mol/base/src/chain_view.cc @@ -20,7 +20,8 @@ #include <limits> #include <boost/bind.hpp> - +#include <ost/mol/bond_handle.hh> +#include <ost/mol/residue_handle.hh> #include <ost/mol/chain_view.hh> #include <ost/mol/residue_view.hh> #include <ost/mol/entity_visitor.hh> diff --git a/modules/mol/base/src/entity_handle.cc b/modules/mol/base/src/entity_handle.cc index eebd571f7825eac4bcd4096f79bea9893be9aa49..b90c191613790f9c5867f51e928a561815e59d40 100644 --- a/modules/mol/base/src/entity_handle.cc +++ b/modules/mol/base/src/entity_handle.cc @@ -18,6 +18,8 @@ //------------------------------------------------------------------------------ #include "impl/entity_impl.hh" +#include "bond_handle.hh" +#include "torsion_handle.hh" #include "entity_visitor.hh" #include "atom_handle.hh" #include "chain_handle.hh" diff --git a/modules/mol/base/src/entity_visitor.hh b/modules/mol/base/src/entity_visitor.hh index f6528e1848b028e544c93a396a736d26de23b798..2cd6b3a82b939bf91bd0d356116a08d63049b8d7 100644 --- a/modules/mol/base/src/entity_visitor.hh +++ b/modules/mol/base/src/entity_visitor.hh @@ -16,19 +16,14 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ -#ifndef OST_ENTITY_VISITOR_HC -#define OST_ENTITY_VISITOR_HC +#ifndef OST_ENTITY_VISITOR_HH +#define OST_ENTITY_VISITOR_HH +#include "module_config.hh" #include "entity_visitor_fw.hh" -#include <ost/mol/atom_handle.hh> -#include <ost/mol/residue_handle.hh> -#include <ost/mol/chain_handle.hh> -#include <ost/mol/bond_handle.hh> -#include <ost/mol/torsion_handle.hh> -#include <ost/mol/atom_view.hh> -#include <ost/mol/residue_view.hh> -#include <ost/mol/chain_view.hh> +#include <ost/mol/view_type_fw.hh> +#include <ost/mol/handle_type_fw.hh> namespace ost { namespace mol { /// \section The Entity Visitor interface diff --git a/modules/mol/base/src/impl/atom_impl.cc b/modules/mol/base/src/impl/atom_impl.cc index a04f4ce1ef660214485e256777ffbdf388dadf3f..60a6ac1f5a75e05e643b191a219471a2ba6a18cf 100644 --- a/modules/mol/base/src/impl/atom_impl.cc +++ b/modules/mol/base/src/impl/atom_impl.cc @@ -19,7 +19,7 @@ #include <cmath> #include <ost/log.hh> - +#include <ost/mol/atom_handle.hh> #include "atom_impl.hh" #include "residue_impl.hh" #include "connector_impl.hh" diff --git a/modules/mol/base/src/impl/chain_impl.cc b/modules/mol/base/src/impl/chain_impl.cc index 456255c3c7217bd495845d7e6c6df9e89a324f30..854b3d850b8a94c606f674b36e2815b7fe24effd 100644 --- a/modules/mol/base/src/impl/chain_impl.cc +++ b/modules/mol/base/src/impl/chain_impl.cc @@ -17,7 +17,7 @@ // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ #include <ost/log.hh> - +#include "atom_impl.hh" #include "chain_impl.hh" #include "residue_impl.hh" #include "entity_impl.hh" diff --git a/modules/mol/base/src/impl/connector_impl.cc b/modules/mol/base/src/impl/connector_impl.cc index b244bc000b81731838c5d46a0db56a8bf2725947..dd4b285da0903649afb63cda9c9c4bab815e804b 100644 --- a/modules/mol/base/src/impl/connector_impl.cc +++ b/modules/mol/base/src/impl/connector_impl.cc @@ -22,7 +22,7 @@ #include "connector_impl.hh" #include "atom_impl.hh" #include "entity_impl.hh" - +#include <ost/mol/bond_handle.hh> #include <ost/mol/entity_visitor.hh> namespace ost { namespace mol { namespace impl { diff --git a/modules/mol/base/src/impl/residue_impl.cc b/modules/mol/base/src/impl/residue_impl.cc index 3b8bd2ace4317b9761713dddfe4e91bde50ee519..4d22f927be1d36658824b8cd63a4f9e8a7fa3c58 100644 --- a/modules/mol/base/src/impl/residue_impl.cc +++ b/modules/mol/base/src/impl/residue_impl.cc @@ -18,7 +18,7 @@ //------------------------------------------------------------------------------ #include <ost/log.hh> #include <ost/mol/entity_visitor.hh> - +#include <ost/mol/residue_handle.hh> #include "chain_impl.hh" #include "residue_impl.hh" #include "atom_impl.hh" diff --git a/modules/mol/base/src/impl/torsion_impl.cc b/modules/mol/base/src/impl/torsion_impl.cc index cff865673921004a19925558b0673ca2b9348eee..744d648f33f3139d1bb03c7327f8ef0a9a77b7f1 100644 --- a/modules/mol/base/src/impl/torsion_impl.cc +++ b/modules/mol/base/src/impl/torsion_impl.cc @@ -22,6 +22,8 @@ #include <ost/mol/impl/connector_impl.hh> #include <ost/mol/impl/atom_impl.hh> #include <ost/mol/entity_visitor.hh> +#include <ost/mol/residue_handle.hh> +#include <ost/mol/torsion_handle.hh> #include <ost/mol/impl/entity_impl.hh> namespace ost { namespace mol { namespace impl { diff --git a/modules/mol/base/src/residue_handle.cc b/modules/mol/base/src/residue_handle.cc index da838c532d11470f1e146272738146f22c461821..809dbb8c64b9a1d604753e2feaa79174a8f71c96 100644 --- a/modules/mol/base/src/residue_handle.cc +++ b/modules/mol/base/src/residue_handle.cc @@ -25,7 +25,7 @@ #include <ost/mol/impl/chain_impl.hh> #include <ost/mol/impl/entity_impl.hh> #include <ost/mol/iterator.hh> - +#include <ost/mol/bond_handle.hh> namespace ost { namespace mol { ResidueHandle::ResidueHandle() diff --git a/modules/mol/base/src/residue_view.cc b/modules/mol/base/src/residue_view.cc index 4cced449776897d1f3f971e465b0527eb7c01a19..4bd75ba32e1701750d89a28a04ab9169c5ce9dc2 100644 --- a/modules/mol/base/src/residue_view.cc +++ b/modules/mol/base/src/residue_view.cc @@ -21,6 +21,7 @@ #include <boost/bind.hpp> +#include <ost/mol/bond_handle.hh> #include <ost/mol/chain_view.hh> #include <ost/mol/atom_view.hh> #include <ost/mol/entity_visitor.hh> diff --git a/modules/mol/base/src/xcs_editor.cc b/modules/mol/base/src/xcs_editor.cc index 88d8bbcd4c0d786e81ee5763a473787c4da2aad9..f5a35fa66dda31b0230f5ee06db98b2b7688eb25 100644 --- a/modules/mol/base/src/xcs_editor.cc +++ b/modules/mol/base/src/xcs_editor.cc @@ -17,7 +17,10 @@ // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ #include "xcs_editor.hh" -#include <ost/mol/mol.hh> +#include <ost/mol/atom_handle.hh> +#include <ost/mol/residue_handle.hh> +#include <ost/mol/chain_handle.hh> +#include <ost/mol/bond_handle.hh> #include "impl/atom_impl.hh" #include "impl/entity_impl.hh" diff --git a/modules/qa/src/clash_score.cc b/modules/qa/src/clash_score.cc index ceb23123b0b42a1ef7549e77219fdca23940cae0..e942da7e0fd636f219c4e2a43d3fa9787e4c7360 100644 --- a/modules/qa/src/clash_score.cc +++ b/modules/qa/src/clash_score.cc @@ -16,8 +16,9 @@ // along with this library; if not, write to the Free Software Foundation, Inc., // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ -#include <ost/mol/mol.hh> - +#include <ost/mol/entity_view.hh> +#include <ost/mol/atom_view.hh> +#include <ost/mol/iterator.hh> #include "clash_score.hh" namespace ost { namespace qa { diff --git a/modules/qa/src/impl/reduced_impl.cc b/modules/qa/src/impl/reduced_impl.cc index a3778cb39f4f2377e65bbed8795c3f61aa0d59ae..fb7fd01d73eae1827041a64d11cb9f0c514fa9c1 100644 --- a/modules/qa/src/impl/reduced_impl.cc +++ b/modules/qa/src/impl/reduced_impl.cc @@ -1,5 +1,7 @@ #include <ost/log.hh> - +#include <ost/mol/residue_handle.hh> +#include <ost/mol/atom_handle.hh> +#include <ost/mol/atom_view.hh> #include "reduced_impl.hh" diff --git a/modules/qa/src/impl/reduced_impl.hh b/modules/qa/src/impl/reduced_impl.hh index 77233fb308d732ef211ed8740fee20ddb5886168..1d1157228733a2157681e3d8bcb46a368d1bd085 100644 --- a/modules/qa/src/impl/reduced_impl.hh +++ b/modules/qa/src/impl/reduced_impl.hh @@ -21,8 +21,9 @@ #define OST_QA_IMPL_REDUCED_HH -#include <ost/mol/mol.hh> - +#include <ost/mol/entity_visitor.hh> +#include <ost/mol/entity_handle.hh> +#include <ost/mol/entity_view.hh> #include <ost/qa/module_config.hh> #include <ost/qa/amino_acids.hh> #include <ost/qa/reduced_statistics.hh> diff --git a/modules/qa/src/interaction_statistics.cc b/modules/qa/src/interaction_statistics.cc index 44789acec3e663481cde8c1320d0831fe2ccafb4..c30fcf132999e9df487a133a8ba4ddd47128ba41 100644 --- a/modules/qa/src/interaction_statistics.cc +++ b/modules/qa/src/interaction_statistics.cc @@ -17,8 +17,8 @@ // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA //------------------------------------------------------------------------------ #include "interaction_statistics.hh" -#include <ost/mol/impl/atom_impl.hh> -#include <ost/mol/impl/entity_impl.hh> +#include <ost/mol/atom_view.hh> +#include <ost/mol/residue_view.hh> #include <ost/io/binary_data_source.hh> #include <ost/io/binary_data_sink.hh> #include <ost/io/container_serialization.hh> diff --git a/modules/qa/src/packing_potential.cc b/modules/qa/src/packing_potential.cc index c10eb3186e65fce0ee9a416cf51db9599a0fce68..b64ab96d0c05742cc6736be5fca87edf882962fb 100644 --- a/modules/qa/src/packing_potential.cc +++ b/modules/qa/src/packing_potential.cc @@ -23,6 +23,7 @@ #include <boost/filesystem/convenience.hpp> #include <ost/message.hh> #include <sstream> +#include <ost/mol/atom_view.hh> #include <ost/io/io_exception.hh> #include <ost/integrity_error.hh> diff --git a/modules/qa/src/packing_statistics.cc b/modules/qa/src/packing_statistics.cc index 595af831462468014e4ac7f30f4ea41135bde658..d557931ca9ec23af1b7cd81a5cf792a71230eabc 100644 --- a/modules/qa/src/packing_statistics.cc +++ b/modules/qa/src/packing_statistics.cc @@ -20,7 +20,9 @@ #include <ost/log.hh> #include <ost/geom/geom.hh> -#include <ost/mol/mol.hh> +#include <ost/mol/atom_handle.hh> +#include <ost/mol/residue_handle.hh> +#include <ost/mol/atom_view.hh> #include <ost/io/binary_data_source.hh> #include <ost/io/binary_data_sink.hh> #include <ost/io/container_serialization.hh>