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ProSHADE
0.7.5.4 (MAR 2021)
Protein Shape Detection
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22 #include <getopt_port/getopt_port.h>
23 #include <getopt_port/getopt_port.c>
46 #include <pybind11/pybind11.h>
47 #include <pybind11/stl.h>
48 #include <pybind11/stl_bind.h>
49 #include <pybind11/numpy.h>
50 #include <pybind11/complex.h>
53 void add_settingsClass ( pybind11::module& pyProSHADE );
54 void add_dataClass ( pybind11::module& pyProSHADE );
55 void add_distancesClass ( pybind11::module& pyProSHADE );
58 PYBIND11_MAKE_OPAQUE ( std::vector < std::string > )
61 #include "pyProSHADE.cpp"
62 #include "pyProSHADE_data.cpp"
63 #include "pyProSHADE_distances.cpp"
66 PYBIND11_MODULE ( proshade, pyProSHADE )
69 pybind11::bind_vector < std::vector < std::string > > ( pyProSHADE,
"<VectorOfStrings class> (Use append to add entries and [] to access them)", pybind11::module_local (
true ) );
72 pyProSHADE.doc ( ) =
"Protein Shape Description and Symmetry Detection (ProSHADE) python module";
75 pyProSHADE.attr (
"__version__" ) = __PROSHADE_VERSION__;
78 pybind11::enum_ < ProSHADE_Task > ( pyProSHADE,
"ProSHADE_Task" )
80 .value (
"Distances", Distances )
81 .value (
"Symmetry", Symmetry )
82 .value (
"OverlayMap", OverlayMap )
83 .value (
"MapManip", MapManip )
87 add_settingsClass ( pyProSHADE );
88 add_dataClass ( pyProSHADE );
89 add_distancesClass ( pyProSHADE );
This is the source file containing functions required for computation of shape distances.
This source file contains all the mathematical functions not simply available from elsewhere or modif...
This source file contains the functions required for internal map manipulation for various purposes.
This source file contains all miscellaneous functions.
This source file contains all the functions required to detect symmetry axes and types from the inver...
This source file contains the functions required for specifc data format manipulations.
This is the source file containing internal data representation and manipulation structures and funct...
This source file contains the functions required for structure overlay computations.
This source file contains all user message functions.
This source file contains function related to the ProSHADE_sphere class, which generally serve to pre...
This is the main header file providing the main access class and its functions.
This is the main source file providing the main access class and its functions.
This source file declares functions required for peak searching and peak position optimisation.
This source file contains the task functions, which drive the computation of a specific task.
This source file contains all the functions required to compute the Wigner D matrices.
This source file contains the function required to compute the spherical harmonics decompostion in Pr...