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ProSHADE
0.7.6.2 (DEC 2021)
Protein Shape Detection
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Go to the documentation of this file.
22 #if defined ( __GNUC__ )
23 #pragma GCC diagnostic push
24 #pragma GCC diagnostic ignored "-Wpedantic"
25 #pragma GCC diagnostic ignored "-Wshadow"
26 #pragma GCC diagnostic ignored "-Wall"
27 #pragma GCC diagnostic ignored "-Wextra"
28 #pragma GCC diagnostic ignored "-Wdouble-promotion"
29 #pragma GCC diagnostic ignored "-Wconversion"
33 #if defined ( __clang__ )
34 #pragma clang diagnostic push
35 #pragma clang diagnostic ignored "-Wpedantic"
36 #pragma clang diagnostic ignored "-Wshadow"
37 #pragma clang diagnostic ignored "-Wall"
38 #pragma clang diagnostic ignored "-Wextra"
39 #pragma clang diagnostic ignored "-Wdouble-promotion"
40 #pragma clang diagnostic ignored "-Weverything"
44 #if defined ( _MSC_VER )
45 #pragma warning ( disable:4996 )
49 #include <getopt_port/getopt_port.h>
50 #include <getopt_port/getopt_port.c>
75 #include <pybind11/pybind11.h>
76 #include <pybind11/stl.h>
77 #include <pybind11/stl_bind.h>
78 #include <pybind11/numpy.h>
79 #include <pybind11/complex.h>
82 void add_settingsClass ( pybind11::module& pyProSHADE );
83 void add_dataClass ( pybind11::module& pyProSHADE );
84 void add_distancesClass ( pybind11::module& pyProSHADE );
87 PYBIND11_MAKE_OPAQUE ( std::vector < std::string > )
90 #if defined ( _MSC_VER )
91 #pragma warning ( default:4996 )
95 #if defined ( __GNUC__ )
96 #pragma GCC diagnostic pop
100 #if defined ( __clang__ )
101 #pragma clang diagnostic pop
111 PYBIND11_MODULE ( proshade, pyProSHADE )
114 pybind11::bind_vector < std::vector < std::string > > ( pyProSHADE,
"<VectorOfStrings class> (Use append to add entries and [] to access them)", pybind11::module_local (
true ) );
117 pyProSHADE.doc ( ) =
"Protein Shape Description and Symmetry Detection (ProSHADE) python module";
120 pyProSHADE.attr (
"__version__" ) = PROSHADE_VERSION;
123 pybind11::enum_ < ProSHADE_Task > ( pyProSHADE,
"ProSHADE_Task" )
125 .value (
"Distances", Distances )
126 .value (
"Symmetry", Symmetry )
127 .value (
"OverlayMap", OverlayMap )
128 .value (
"MapManip", MapManip )
132 add_settingsClass ( pyProSHADE );
133 add_dataClass ( pyProSHADE );
134 add_distancesClass ( pyProSHADE );
135 add_mathsNamespace ( pyProSHADE );
This source file contains the ProSHADE_exception class functions..
This is the source file containing functions required for computation of shape distances.
This file contains the PyBind11 bindings for the ProSHADE_data class.
This source file contains all the mathematical functions not simply available from elsewhere or modif...
This file contains the PyBind11 bindings for selected ProSHADE_internal_maths namespace functions.
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 functions for the precomputed values classes.
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 file contains the PyBind11 bindings for the ProSHADE_internal_distances namespace.
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 file contains the PyBind11 bindings for the ProSHADE_settings class.
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...