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14 values
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/math/gaussian/sum.h
.h
6,375
234
#ifndef SCITBX_MATH_GAUSSIAN_SUM_H #define SCITBX_MATH_GAUSSIAN_SUM_H #ifndef SCITBX_MATH_GAUSSIAN_SUM_MAX_N_TERMS #define SCITBX_MATH_GAUSSIAN_SUM_MAX_N_TERMS 10 #endif #include <scitbx/math/gaussian/term.h> #include <scitbx/array_family/small.h> #include <scitbx/array_family/shared.h> #include <scitbx/error.h> nam...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/math/erf/constants.h
.h
2,494
80
#ifndef SCITBX_MATH_ERF_CONSTANTS_H #define SCITBX_MATH_ERF_CONSTANTS_H #include <cstddef> namespace scitbx { namespace math { //! Port of http://www.netlib.org/specfun/erf (as of 2003 Dec 03). namespace erf_constants { //! Port of http://www.netlib.org/specfun/erf (as of 2003 Dec 03). /*! From the FORTRAN docu...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/math/erf/engine.h
.h
6,740
188
#ifndef SCITBX_MATH_ERF_ENGINE_H #define SCITBX_MATH_ERF_ENGINE_H #include <scitbx/math/erf/constants.h> #include <cmath> namespace scitbx { namespace math { //! Port of http://www.netlib.org/specfun/erf (as of 2003 Dec 03). /*! From the FORTRAN documentation: <pre> This packet evaluates erf(x), erfc(x), and ...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/fftpack/factorization.h
.h
2,249
79
#ifndef SCITBX_FFTPACK_FACTORIZATION_H #define SCITBX_FFTPACK_FACTORIZATION_H #include <scitbx/array_family/tiny_types.h> #include <scitbx/array_family/ref.h> #include <scitbx/array_family/shared.h> namespace scitbx { namespace fftpack { /*! \brief Determination of prime factors for both complex-to-complex ...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/fftpack/complex_to_complex_3d.h
.h
6,345
194
#ifndef SCITBX_FFTPACK_COMPLEX_TO_COMPLEX_3D_H #define SCITBX_FFTPACK_COMPLEX_TO_COMPLEX_3D_H #include <scitbx/fftpack/complex_to_complex.h> #include <scitbx/error.h> #include <omptbx/omp_or_stubs.h> //#define SCITBX_FFTPACK_COMPLEX_TO_COMPLEX_3D_NO_PRAGMA_OMP namespace scitbx { namespace fftpack { //! 3-dimensio...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/fftpack/complex_to_complex.h
.h
25,010
753
#ifndef SCITBX_FFTPACK_COMPLEX_TO_COMPLEX_H #define SCITBX_FFTPACK_COMPLEX_TO_COMPLEX_H #include <scitbx/fftpack/factorization.h> #include <scitbx/fftpack/detail/ref.h> #include <scitbx/array_family/shared.h> #include <scitbx/auto_array.h> #include <algorithm> #include <complex> #include <cmath> namespace scitbx { /...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/fftpack/detail/ref.h
.h
1,113
50
#ifndef SCITBX_FFTPACK_DETAIL_REF_H #define SCITBX_FFTPACK_DETAIL_REF_H namespace scitbx { namespace fftpack { namespace detail { template <class ElementType> class ref_2d_tp { public: ref_2d_tp(ElementType* Start, std::size_t nx, std::size_t) : start_(Start), ...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/ref.h
.h
15,046
516
#ifndef SCITBX_ARRAY_FAMILY_REF_H #define SCITBX_ARRAY_FAMILY_REF_H #include <scitbx/error.h> #include <scitbx/math/traits.h> #include <scitbx/array_family/error.h> #include <scitbx/array_family/accessors/trivial.h> #include <scitbx/array_family/detail/ref_helpers.h> #include <algorithm> #include <boost/scoped_array.h...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/tiny_algebra.h
.h
55,109
1,839
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.source_generators.array_family.generate_algebras */ #ifndef SCITBX_ARRAY_FAMILY_TINY_ALGEBRA_H #define SCITBX_ARRAY_F...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/tiny.h
.h
1,013
39
#ifndef SCITBX_ARRAY_FAMILY_TINY_H #define SCITBX_ARRAY_FAMILY_TINY_H #include <scitbx/array_family/tiny_plain.h> #include <scitbx/array_family/ref_reductions.h> namespace scitbx { namespace af { // Automatic allocation, fixed size, standard operators. template <typename ElementType, std::size_t N> class tiny ...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/versa_plain.h
.h
7,354
248
#ifndef SCITBX_ARRAY_FAMILY_VERSA_PLAIN_H #define SCITBX_ARRAY_FAMILY_VERSA_PLAIN_H #include <scitbx/error.h> #include <scitbx/array_family/shared_plain.h> namespace scitbx { namespace af { template <typename ElementType, typename AccessorType = trivial_accessor> class versa_plain : public shared_pla...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/array_adaptor.h
.h
761
39
#ifndef SCITBX_ARRAY_FAMILY_ARRAY_ADAPTOR_H #define SCITBX_ARRAY_FAMILY_ARRAY_ADAPTOR_H namespace scitbx { namespace af { template <typename T> struct array_adaptor { const T* pointee; array_adaptor(T const& a) : pointee(&a) {} }; template <typename T> inline array_adaptor<T> adapt(T const& a...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/ref_reductions.h
.h
14,796
522
#ifndef SCITBX_ARRAY_FAMILY_REDUCTIONS_H #define SCITBX_ARRAY_FAMILY_REDUCTIONS_H #include <scitbx/error.h> #include <scitbx/math/approx_equal.h> #include <scitbx/array_family/ref.h> #include <scitbx/array_family/misc_functions.h> #include <boost/optional.hpp> #include <complex> namespace scitbx { namespace af { t...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/tiny_mat_ref.h
.h
640
25
#include <scitbx/array_family/ref.h> #include <scitbx/array_family/accessors/mat_grid.h> namespace scitbx { namespace af { template <typename ElementType, int Rows, int Cols> class tiny_mat_ref : public ref<ElementType, mat_grid> { public: tiny_mat_ref(ElementType *storage) : ref<ElementType, mat_grid...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/small_reductions.h
.h
3,714
156
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.source_generators.array_family.generate_reductions */ #ifndef SCITBX_ARRAY_FAMILY_SMALL_REDUCTIONS_H #define SCITBX_A...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/versa.h
.h
4,381
171
#ifndef SCITBX_ARRAY_FAMILY_VERSA_H #define SCITBX_ARRAY_FAMILY_VERSA_H #include <scitbx/array_family/versa_plain.h> #include <scitbx/array_family/ref_reductions.h> namespace scitbx { namespace af { template <typename ElementType, typename AccessorType = trivial_accessor> class versa : public versa_p...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/small_plain.h
.h
4,156
154
#ifndef SCITBX_ARRAY_FAMILY_SMALL_PLAIN_H #define SCITBX_ARRAY_FAMILY_SMALL_PLAIN_H #include <scitbx/array_family/tiny.h> #include <scitbx/array_family/detail/auto_allocator.h> namespace scitbx { namespace af { // Automatic allocation, variable size. template <typename ElementType, std::size_t N> class small_p...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/type_traits.h
.h
1,431
71
#ifndef SCITBX_ARRAY_FAMILY_TYPE_TRAITS_H #define SCITBX_ARRAY_FAMILY_TYPE_TRAITS_H namespace scitbx { namespace af { struct false_type {}; struct true_type {}; }} #include <boost/config.hpp> #if defined(BOOST_NO_TEMPLATE_PARTIAL_SPECIALIZATION) #define SCITBX_ARRAY_FAMILY_STATIC_ASSERT_HAS_TRIVIAL_DESTRUCTOR...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/small.h
.h
1,599
65
#ifndef SCITBX_ARRAY_FAMILY_SMALL_H #define SCITBX_ARRAY_FAMILY_SMALL_H #include <scitbx/array_family/small_plain.h> #include <scitbx/array_family/ref_reductions.h> namespace scitbx { namespace af { // Automatic allocation, fixed size, standard operators. template <typename ElementType, std::size_t N> class sm...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/misc_functions.h
.h
3,587
150
#ifndef SCITBX_ARRAY_FAMILY_MISC_FUNCTIONS_H #define SCITBX_ARRAY_FAMILY_MISC_FUNCTIONS_H #include <boost/type_traits/is_unsigned.hpp> #include <cmath> #include <cstdlib> namespace scitbx { namespace fn { namespace details { template <typename NumType> class absolute { public: NumType operat...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/memory.h
.h
2,774
106
#ifndef SCITBX_ARRAY_FAMILY_MEMORY_H #define SCITBX_ARRAY_FAMILY_MEMORY_H /* + On some platforms std::malloc is 16-byte aligned: - glibc 2.8 onwards on 64 bit system: http://www.gnu.org/s/libc/manual/html_node/Aligned-Memory-Blocks.html the version requirement is lifted from the Eigen library (c.f. comments in src...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/tiny_reductions.h
.h
3,654
156
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.source_generators.array_family.generate_reductions */ #ifndef SCITBX_ARRAY_FAMILY_TINY_REDUCTIONS_H #define SCITBX_AR...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/small_algebra.h
.h
58,690
1,819
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.source_generators.array_family.generate_algebras */ #ifndef SCITBX_ARRAY_FAMILY_SMALL_ALGEBRA_H #define SCITBX_ARRAY_...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/shared_plain.h
.h
10,975
382
/* This code is derived in part from: * STLport-4.5.3/stlport/stl/_vector.h * STLport-4.5.3/stlport/stl/_vector.c * * Copyright (c) 1994 * Hewlett-Packard Company * * Copyright (c) 1996,1997 * Silicon Graphics Computer Systems, Inc. * * Copyright (c) 1997 * Moscow Center for SPARC Technology * * Copyri...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/shared.h
.h
3,152
134
#ifndef SCITBX_ARRAY_FAMILY_SHARED_H #define SCITBX_ARRAY_FAMILY_SHARED_H #include <scitbx/array_family/shared_plain.h> #include <scitbx/array_family/ref_reductions.h> namespace scitbx { namespace af { // Dynamic allocation, shared (data and size), standard operators. template <typename ElementType> class shar...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/operator_traits_builtin.h
.h
7,239
317
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.source_generators.array_family.generate_operator_traits_builtin */ #ifndef SCITBX_ARRAY_FAMILY_OPERATOR_TRAITS_BUILTI...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/tiny_plain.h
.h
1,732
60
#ifndef SCITBX_ARRAY_FAMILY_TINY_PLAIN_H #define SCITBX_ARRAY_FAMILY_TINY_PLAIN_H #include <scitbx/array_family/ref.h> #include <scitbx/array_family/detail/misc.h> #include <scitbx/array_family/detail/tiny_helpers.h> #include <scitbx/array_family/array_adaptor.h> namespace scitbx { namespace af { // Automatic allo...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/tiny_types.h
.h
2,623
116
#ifndef SCITBX_ARRAY_FAMILY_TINY_TYPES_H #define SCITBX_ARRAY_FAMILY_TINY_TYPES_H #include <scitbx/array_family/tiny.h> namespace scitbx { namespace af { typedef tiny<int, 2> int2; typedef tiny<int, 3> int3; typedef tiny<int, 4> int4; typedef tiny<int, 6> int6; typedef tiny<int, 9> int9; typedef tiny<lon...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/error.h
.h
363
20
#ifndef SCITBX_ARRAY_FAMILY_ERROR_H #define SCITBX_ARRAY_FAMILY_ERROR_H #include <stdexcept> // FIXES for broken compilers #include <boost/config.hpp> namespace scitbx { namespace af { inline void throw_range_error() { throw std::range_error("scitbx array_family range error"); } }} // namespace scitbx:...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/accessors/mat_grid.h
.h
290
14
#ifndef SCITBX_ARRAY_FAMILY_ACCESSORS_MAT_GRID_H #define SCITBX_ARRAY_FAMILY_ACCESSORS_MAT_GRID_H #include <scitbx/array_family/accessors/c_grid.h> namespace scitbx { namespace af { /// The grid used for matrices throughout typedef c_grid<2> mat_grid; }} // scitbx::af #endif // GUARD
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/accessors/c_index_1d_calculator.h
.h
788
33
#ifndef SCITBX_ARRAY_FAMILY_ACCESSORS_C_INDEX_1D_CALCULATOR_H #define SCITBX_ARRAY_FAMILY_ACCESSORS_C_INDEX_1D_CALCULATOR_H #include <cstddef> namespace scitbx { namespace af { template <std::size_t N> struct c_index_1d_calculator { template <typename ExtendArrayType, typename IndexType> static std::si...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/accessors/trivial.h
.h
608
29
#ifndef SCITBX_ARRAY_FAMILY_ACCESSORS_TRIVIAL_H #define SCITBX_ARRAY_FAMILY_ACCESSORS_TRIVIAL_H #include <cstddef> namespace scitbx { namespace af { class trivial_accessor { public: typedef std::size_t index_type; struct index_value_type {}; trivial_accessor() : size_(0) {} trivial_...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/accessors/c_grid.h
.h
6,459
248
// The implementations in this file are highly redundant in order // to help the optimizer. #ifndef SCITBX_ARRAY_FAMILY_ACCESSORS_C_GRID_H #define SCITBX_ARRAY_FAMILY_ACCESSORS_C_GRID_H #include <scitbx/array_family/accessors/c_index_1d_calculator.h> #include <scitbx/array_family/accessors/flex_grid.h> #include <scit...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/accessors/flex_grid.h
.h
10,471
402
#ifndef SCITBX_ARRAY_FAMILY_ACCESSORS_FLEX_GRID_H #define SCITBX_ARRAY_FAMILY_ACCESSORS_FLEX_GRID_H #include <scitbx/error.h> #include <scitbx/array_family/small.h> #include <scitbx/array_family/small_reductions.h> #include <scitbx/array_family/small_algebra.h> namespace scitbx { namespace af { typedef small<long,...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/tiny_helpers.h
.h
3,840
163
// Included from tiny_plain.h // DO NOT INCLUDE THIS FILE DIRECTLY. #define SCITBX_ARRAY_FAMILY_TINY_CONVENIENCE_CONSTRUCTORS(class_name) \ explicit \ class_name( \ value_type const& v0 \ ) { \ this->elems[0] = v0; \ } \ class_name( \ value_type const& v0, \ value_type const& v1 \ ) { \ this->elems[0] = v0; ...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/generic_array_functors.h
.h
9,246
331
#ifndef SCITBX_ARRAY_FAMILY_GENERIC_ARRAY_FUNCTORS_H #define SCITBX_ARRAY_FAMILY_GENERIC_ARRAY_FUNCTORS_H #include <scitbx/array_family/detail/generic_array_operators.h> namespace scitbx { namespace af { template <typename FunctorType, typename ElementType, typename ElementTypeResult> cla...
Unknown
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/reducing_boolean_mem_fun.h
.h
1,932
77
// Included from tiny.h, small.h, shared.h, versa.h // DO NOT INCLUDE THIS FILE DIRECTLY. bool all_eq(base_class const& other) const { return this->const_ref().all_eq(other.const_ref()); } bool all_eq(ElementType const& other) const { return this->const_ref().all_eq(other...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/operator_functors.h
.h
6,386
228
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.source_generators.array_family.generate_operator_functors */ #ifndef SCITBX_ARRAY_FAMILY_OPERATOR_FUNCTORS_H #define ...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/push_back_etc.h
.h
6,033
206
// Included from small_plain.h and shared_plain.h // DO NOT INCLUDE THIS FILE DIRECTLY. void assign(size_type const& sz, ElementType const& x) { if (sz > capacity()) { clear(); reserve(sz); std::uninitialized_fill_n(begin(), sz, x); m_set_size(sz); } ...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/misc.h
.h
3,120
133
#ifndef SCITBX_ARRAY_FAMILY_MISC_H #define SCITBX_ARRAY_FAMILY_MISC_H #include <scitbx/array_family/type_traits.h> #include <memory> namespace scitbx { namespace af { class reserve { public: reserve(std::size_t size) : size_(size) {} std::size_t operator()() const { return size_; } pr...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/auto_allocator.h
.h
515
21
#ifndef SCITBX_ARRAY_FAMILY_AUTO_ALLOCATOR_H #define SCITBX_ARRAY_FAMILY_AUTO_ALLOCATOR_H #include <boost/type_traits/alignment_traits.hpp> namespace scitbx { namespace af { namespace detail { template <typename T, std::size_t N> union auto_allocator { typedef typename boost::type_with_alignment< (bo...
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3D
YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/std_imports.h
.h
8,115
318
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.source_generators.array_family.generate_std_imports */ #ifndef SCITBX_ARRAY_FAMILY_STD_IMPORTS_H #define SCITBX_ARRAY...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/generic_array_operators.h
.h
10,267
380
#ifndef SCITBX_ARRAY_FAMILY_GENERIC_ARRAY_OPERATORS_H #define SCITBX_ARRAY_FAMILY_GENERIC_ARRAY_OPERATORS_H #include <scitbx/array_family/detail/misc.h> namespace scitbx { namespace af { // functor(array), non-POD result type template <typename FunctorType, typename ElementType, typename ...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/array_family/detail/ref_helpers.h
.h
3,470
91
// Included from ref.h // DO NOT INCLUDE THIS FILE DIRECTLY. #include <boost/operators.hpp> namespace scitbx { namespace af { namespace detail { template<class T> class ref_reverse_iterator : public boost::random_access_iterator_helper<ref_reverse_iterator<T>, T> { T* p; typedef ref_reverse_ite...
Unknown
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YellProgram/Yell
lib/cctbx_stubs/scitbx/matrix/multiply.h
.h
5,386
228
#ifndef SCITBX_MATRIX_MULTIPLY_H #define SCITBX_MATRIX_MULTIPLY_H namespace scitbx { namespace matrix { //! Generic matrix multiplication function: a * b /*! ab[ar, bc] = a[ar, ac] * b[ac, bc] */ template <typename NumTypeA, typename NumTypeB, typename NumTypeAB> void multiply( ...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/matrix/as_xyz.h
.h
2,132
82
#ifndef SCITBX_MATRIX_AS_XYZ_H #define SCITBX_MATRIX_AS_XYZ_H #include <scitbx/rational.h> #include <scitbx/error.h> #include <cstring> namespace scitbx { namespace matrix { template <typename IntType> std::string rational_as_xyz( int n_rows, int n_columns, const IntType* r_num, IntType r_den, ...
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YellProgram/Yell
lib/cctbx_stubs/scitbx/matrix/row_echelon.h
.h
5,449
200
#ifndef SCITBX_MATRIX_ROW_ECHELON_H #define SCITBX_MATRIX_ROW_ECHELON_H #include <scitbx/array_family/accessors/mat_grid.h> #include <scitbx/array_family/small.h> #include <scitbx/array_family/misc_functions.h> #include <scitbx/matrix/multiply.h> #include <scitbx/math/gcd.h> namespace scitbx { namespace matrix { name...
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YellProgram/Yell
lib/cctbx_stubs/cctbx/miller.h
.h
3,831
135
/*! \file Handling of Miller indices. */ #ifndef CCTBX_MILLER_H #define CCTBX_MILLER_H #include <scitbx/vec3.h> #include <scitbx/array_family/misc_functions.h> #include <cctbx/import_scitbx_af.h> #include <cctbx/error.h> #include <cstdio> namespace cctbx { //! Miller index namespace. namespace miller { /...
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YellProgram/Yell
lib/cctbx_stubs/cctbx/coordinates.h
.h
5,808
190
#ifndef CCTBX_COORDINATES_H #define CCTBX_COORDINATES_H #include <scitbx/vec3.h> #include <cctbx/import_scitbx_af.h> namespace cctbx { template <typename FloatType> class fractional; template <typename IntType> class grid_point; //! Class for cartesian (orthogonal, real) coordinates. /*! The template p...
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YellProgram/Yell
lib/cctbx_stubs/cctbx/crystal_orientation.h
.h
6,031
185
#ifndef CCTBX_CRYSTL_ORIENT_H #define CCTBX_CRYSTL_ORIENT_H #include <cctbx/uctbx.h> #include <cctbx/sgtbx/change_of_basis_op.h> namespace cctbx { //! Shorthand for default vec3 type in orientation toolbox. typedef scitbx::vec3<double> oc_vec3; //! Shorthand for default mat3 type in orientation toolbox. type...
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YellProgram/Yell
lib/cctbx_stubs/cctbx/import_scitbx_af.h
.h
190
12
#ifndef CCTBX_IMPORT_SCITBX_AF_H #define CCTBX_IMPORT_SCITBX_AF_H namespace scitbx { namespace af { }} namespace cctbx { namespace af = scitbx::af; } #endif // CCTBX_IMPORT_SCITBX_AF_H
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YellProgram/Yell
lib/cctbx_stubs/cctbx/uctbx.h
.h
41,386
1,241
#ifndef CCTBX_UCTBX_H #define CCTBX_UCTBX_H #include <cmath> #include <boost/numeric/conversion/cast.hpp> #include <boost/optional.hpp> #include <scitbx/constants.h> #include <scitbx/sym_mat3.h> #include <scitbx/array_family/tiny_types.h> #include <scitbx/array_family/small.h> #include <scitbx/array_family/shared.h> #...
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YellProgram/Yell
lib/cctbx_stubs/cctbx/error.h
.h
2,301
78
/* ***************************************************** THIS IS AN AUTOMATICALLY GENERATED FILE. DO NOT EDIT. ***************************************************** Generated by: scitbx.generate_error_h */ /*! \file Declarations and macros for exception handling. */ #ifndef CCTBX_ERROR_H #define ...
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3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/utils.h
.h
458
24
#ifndef CCTBX_SGTBX_UTILS_H #define CCTBX_SGTBX_UTILS_H namespace cctbx { namespace sgtbx { namespace utils { int change_denominator( const int *old_num, int old_den, int *new_num, int new_den, int n); class cmp_i_vec { public: cmp_i_vec(std::size_t n) : n_(n) {} bool operator()(...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/change_of_basis_op.cpp
.cpp
3,290
118
#include <cctbx/sgtbx/change_of_basis_op.h> namespace cctbx { namespace sgtbx { change_of_basis_op::change_of_basis_op( parse_string& symbol, const char* stop_chars, int r_den, int t_den) : c_(0, 0), c_inv_(0, 0) { rt_mx_from_string result( symbol, stop_chars, r_den, t_den, ...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/change_of_basis_op.h
.h
10,494
340
#ifndef CCTBX_SGTBX_CHANGE_OF_BASIS_OP_H #define CCTBX_SGTBX_CHANGE_OF_BASIS_OP_H #include <cctbx/sgtbx/rt_mx.h> #include <cctbx/sgtbx/utils.h> #include <cctbx/uctbx.h> namespace cctbx { namespace sgtbx { //! Change-of-basis (transformation) operator. /*! For ease of use, a change-of-basis matrix c() and its inv...
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3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/rot_mx.cpp
.cpp
3,017
117
#include <cctbx/sgtbx/rot_mx.h> #include <cctbx/sgtbx/utils.h> #include <scitbx/math/gcd.h> namespace cctbx { namespace sgtbx { void throw_unsuitable_rot_mx(const char* file, long line) { throw error_rational_vector(file, line, "Unsuitable value for rational rotation matrix."); } rot_mx rot_mx::new...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/rt_mx.cpp
.cpp
11,090
380
#include <cctbx/sgtbx/rt_mx.h> #include <scitbx/matrix/row_echelon.h> #include <ctype.h> #include <string.h> namespace cctbx { namespace sgtbx { rt_mx rt_mx::new_denominators(int r_den, int t_den) const { rt_mx result(*this); if (r_den) result.r_ = result.r_.new_denominator(r_den); if (t_den) result.t...
C++
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YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/parse_string.h
.h
2,961
116
#ifndef CCTBX_SGTBX_PARSE_STRING_H #define CCTBX_SGTBX_PARSE_STRING_H #include <cstddef> #include <string> namespace cctbx { namespace sgtbx { //! Class for communicating string parsing errors. /*! This class is used by functions such as cctbx::sgtbx::space_group::parse_hall_symbol() or a constructor...
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YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/rot_mx.h
.h
11,934
411
#ifndef CCTBX_SGTBX_ROT_MX_H #define CCTBX_SGTBX_ROT_MX_H #include <scitbx/sym_mat3.h> #include <cctbx/sgtbx/tr_vec.h> #include <scitbx/matrix/as_xyz.h> namespace cctbx { namespace sgtbx { void throw_unsuitable_rot_mx(const char* file, long line); class rot_mx_info; // forward declaration //! 3x3 rotation ma...
Unknown
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YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/utils.cpp
.cpp
1,220
43
#include <cstddef> #include <cctbx/sgtbx/utils.h> #include <scitbx/array_family/misc_functions.h> namespace cctbx { namespace sgtbx { namespace utils { int change_denominator( const int *old_num, int old_den, int *new_num, int new_den, int n) { for(std::size_t i=0;i<n;i++) { new_num[i]...
C++
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YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/tr_vec.cpp
.cpp
1,981
73
#include <cctbx/sgtbx/tr_vec.h> #include <cctbx/sgtbx/utils.h> #include <scitbx/math/gcd.h> namespace cctbx { namespace sgtbx { void throw_unsuitable_tr_vec(const char* file, long line) { throw error_rational_vector(file, line, "Unsuitable value for rational translation vector."); } tr_vec tr_vec::...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/basic.h
.h
1,655
59
#ifndef CCTBX_SGTBX_BASIC_H #define CCTBX_SGTBX_BASIC_H #include <scitbx/mat3.h> #include <scitbx/rational.h> #include <cctbx/error.h> namespace cctbx { //! Shorthand for default vec3 type in space group toolbox. typedef scitbx::vec3<int> sg_vec3; //! Shorthand for default mat3 type in space group toolbox. t...
Unknown
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YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/rt_mx.h
.h
20,588
673
#ifndef CCTBX_SGTBX_RT_MX_H #define CCTBX_SGTBX_RT_MX_H #include <cctbx/sgtbx/rot_mx.h> #include <cctbx/sgtbx/parse_string.h> #include <cctbx/coordinates.h> #include <scitbx/sym_mat3.h> #include <scitbx/math/gcd.h> #include <scitbx/array_family/tiny_types.h> #include <cctbx/import_scitbx_af.h> namespace cctbx { names...
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3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/sgtbx/tr_vec.h
.h
6,560
236
#ifndef CCTBX_SGTBX_TR_VEC_H #define CCTBX_SGTBX_TR_VEC_H #include <cctbx/sgtbx/basic.h> #include <scitbx/math/modulo.h> #include <scitbx/array_family/tiny.h> #include <scitbx/type_holder.h> #include <cctbx/import_scitbx_af.h> namespace cctbx { namespace sgtbx { void throw_unsuitable_tr_vec(const char* file, long ...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/uctbx/crystal_orientation.cpp
.cpp
2,295
75
#include <cctbx/crystal_orientation.h> #include <scitbx/math/unimodular_generator.h> namespace cctbx { cctbx::crystal_orientation::crystal_orientation( oc_mat3 const& matrix, bool const& reciprocal_flag): Astar_(reciprocal_flag?matrix:matrix.inverse()){} cctbx::uctbx::unit_cell cctbx::crystal_orientation::unit_c...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/uctbx/fast_minimum_reduction.h
.h
11,698
401
#ifndef CCTBX_UCTBX_FAST_MINIMUM_REDUCTION_H #define CCTBX_UCTBX_FAST_MINIMUM_REDUCTION_H #include <cctbx/uctbx.h> #include <cctbx/error.h> #if !defined(CCTBX_UCTBX_FAST_MINIMUM_REDUCTION_OVERZEALOUS_OPTIMIZER) # if defined(__GNUC__) && __GNUC__ == 2 && __GNUC_MINOR__ == 96 # define CCTBX_UCTBX_FAST_MINIMUM_REDUCTIO...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/uctbx/uctbx.cpp
.cpp
16,963
559
#include <cctbx/uctbx/fast_minimum_reduction.h> #include <cctbx/sgtbx/change_of_basis_op.h> #include <scitbx/math/unimodular_generator.h> #include <scitbx/array_family/tiny_algebra.h> namespace cctbx { namespace uctbx { bool unit_cell_angles_are_feasible( scitbx::vec3<double> const& values_deg, double tol...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/uctbx/spoil_optimization.cpp
.cpp
185
7
namespace cctbx { namespace uctbx { float spoil_optimization(float value) { return value; } double spoil_optimization(double value) { return value; } }} // namespace cctbx::uctbx
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/neutron.h
.h
3,514
132
#ifndef CCTBX_ELTBX_NEUTRON_H #define CCTBX_ELTBX_NEUTRON_H #include <string> #include <complex> #include <cctbx/eltbx/xray_scattering/gaussian.h> namespace cctbx { namespace eltbx { namespace neutron { namespace detail { struct raw_record_neutron_news_1992 { const char* label; float bo...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/xray_scattering.h
.h
11,461
354
#ifndef CCTBX_ELTBX_XRAY_SCATTERING_H #define CCTBX_ELTBX_XRAY_SCATTERING_H #include <cctbx/eltbx/basic.h> #include <cctbx/eltbx/xray_scattering/gaussian.h> #include <boost/optional.hpp> #include <boost/config.hpp> #include <stdexcept> #include <ctype.h> namespace cctbx { namespace eltbx { namespace xray_scattering {...
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3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/electron_scattering.h
.h
2,870
91
#ifndef CCTBX_ELECTRON_SCATTERING_H #define CCTBX_ELECTRON_SCATTERING_H #include <cctbx/eltbx/basic.h> #include <cctbx/eltbx/xray_scattering.h> #include <boost/optional.hpp> #include <boost/config.hpp> #include <stdexcept> #include <ctype.h> namespace cctbx { namespace eltbx { namespace electron_scattering { //! C...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/basic.cpp
.cpp
1,293
54
#include <cctbx/eltbx/basic.h> #include <cstddef> #include <ctype.h> namespace cctbx { namespace eltbx { namespace basic { std::string strip_label(std::string const& label, bool exact) { std::string result; std::string::const_iterator l; for (l = label.begin(); l != label.end(); l++) { if (!issp...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/neutron.cpp
.cpp
4,453
154
#include <cctbx/eltbx/neutron.h> #include <cctbx/eltbx/basic.h> namespace cctbx { namespace eltbx { namespace neutron { namespace detail { namespace { /* Neutron bound scattering lengths & cross-sections Data from: http://www.ncnr.nist.gov/resources/n-lengths/list.html All of this data was ta...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/basic.h
.h
1,863
50
#ifndef CCTBX_ELTBX_BASIC_H #define CCTBX_ELTBX_BASIC_H #include <cctbx/error.h> namespace cctbx { //! Element Toolbox namespace. /*! The eltbx is a collection of tables of various x-ray and neutron scattering factors, element names, atomic numbers, atomic weights, ionic radii, and characteristic x-ra...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/electron_scattering/peng1996.cpp
.cpp
32,880
671
#include <cctbx/eltbx/electron_scattering.h> namespace cctbx { namespace eltbx { namespace electron_scattering { namespace { /* peng1996_raw_table contains the reformatted data 2008-06-30, translated by L. Lutterotti from L.-M. PENG, G. REN, S. L. DUDAREV & M. J. WHELAN Robust Parameteriza...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/xray_scattering/form_factor.h
.h
2,284
89
#ifndef CCTBX_ELTBX_XRAY_SCATTERING_FORM_FACTOR_H #define CCTBX_ELTBX_XRAY_SCATTERING_FORM_FACTOR_H #include <scitbx/array_family/shared.h> #include <cctbx/import_scitbx_af.h> namespace cctbx { namespace eltbx { //! X-ray scattering tables. namespace xray_scattering { //! Helper. template<class Derived> class...
Unknown
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/xray_scattering/wk1995.cpp
.cpp
38,938
693
#include <cctbx/eltbx/xray_scattering.h> namespace cctbx { namespace eltbx { namespace xray_scattering { namespace { /* wk1995_raw_table contains the reformatted data found in ftp://wrzx02.rz.uni-wuerzburg.de/pub/local/Crystallography/sfac.dat File picked up Jul 4, 1995. File ver...
C++
3D
YellProgram/Yell
lib/cctbx_stubs/cctbx/eltbx/xray_scattering/gaussian.h
.h
1,664
62
#ifndef CCTBX_ELTBX_XRAY_SCATTERING_GAUSSIAN_H #define CCTBX_ELTBX_XRAY_SCATTERING_GAUSSIAN_H #include <cctbx/eltbx/xray_scattering/form_factor.h> #include <scitbx/math/gaussian/sum.h> #include <cctbx/import_scitbx_af.h> namespace cctbx { namespace eltbx { namespace xray_scattering { class gaussian : public sc...
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pymodproject/pymod
CHANGELOG.md
.md
2,585
46
# PyMod 3 Changelog This file contains descriptions of changes of new PyMod 3 releases. ## Version 3.0.2 (17/8/2020) - Added the possibility to import results from HH-suite output files (HHR and A3M). - Added compatibility for pyside2 (thanks to Thomas Holder). - Fixed the requirements for fully compatible PyMOL versi...
Markdown
3D
pymodproject/pymod
scripts/build_pymol_plugin.py
.py
1,512
43
""" Script for building a PyMOL plugin ZIP file for PyMod 3. You must run this in the root folder of the repository. """ import os import argparse import datetime import zipfile # Parses the commandline. parser = argparse.ArgumentParser() parser.add_argument("-r", "--revision", help="Number of the plugin revision fo...
Python
3D
pymodproject/pymod
pymod3/__init__.py
.py
12,531
305
########################################################################### # Copyright (C) 2020 Giacomo Janson, Alessandro Paiardini # Copyright (C) 2016-2019 Giacomo Janson, Chengxin Zhang, Alessandro Paiardini # Copyright (C) 2011-2012 Emanuele Bramucci & Alessandro Paiardini, # Francesco Bos...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_os_specific.py
.py
14,317
406
# Copyright 2016 by Chengxin Zhang, Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module for cross-platform compatib...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_residue.py
.py
4,524
139
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Residues of sequences and structures in PymMod. ""...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/__init__.py
.py
0
0
null
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_exceptions.py
.py
2,028
74
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Exceptions to be used within PyMod. """ class PyM...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_element_feature.py
.py
2,660
72
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. class Element_feature: def __init__(self, id, nam...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_vars.py
.py
44,711
812
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module contaning variables and function used throu...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_tool.py
.py
13,763
359
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Classes used to control PyMod tools (the external ...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_element.py
.py
35,954
955
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module implementing classes to represent "PyMod el...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_threading.py
.py
9,130
267
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module to display a dialog with a progressbar used...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_seq/seq_star_alignment.py
.py
17,236
488
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module implementing functions to merge alignments ...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_seq/__init__.py
.py
0
0
null
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_seq/seq_io.py
.py
5,243
129
# Copyright 2016 by Chengxin Zhang, Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Sequences input and output. """ i...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_seq/seq_manipulation.py
.py
10,155
282
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. import re import Bio from pymod_lib import pymod_var...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_seq/seq_conservation.py
.py
3,888
111
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Methods to compute conservation values in an align...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_seq/seq_headers.py
.py
3,994
112
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Operations on the names and ids of the sequences l...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_structure/__init__.py
.py
28,889
595
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module with classes to represent the 3D structures...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_main/_installer.py
.py
57,791
1,361
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module for automatically downloading and installin...
Python
3D
pymodproject/pymod
pymod3/pymod_lib/pymod_main/__init__.py
.py
33,413
711
# Copyright 2020 by Giacomo Janson. All rights reserved. # This code is part of the PyMod package and governed by its license. Please # see the LICENSE file that should have been included as part of this package # or the main __init__.py file in the pymod3 folder. """ Module implementing a class to represent the PyMod...
Python