libcifpp
Contents
Introduction
Basic usage
Chemical Compounds
Molecular Model
Resources
Symmetry & Geometry
Bits & Pieces
API Reference
Page Hierarchy
Class Hierarchy
File Hierarchy
Full API
Namespaces
Classes and Structs
Enums
Functions
Function cif::add_data_directory
Function cif::add_file_resource
Function cif::align_points
Function cif::all
Template Function cif::angle
Function cif::bond_type_to_string
Function cif::center_points
Function cif::centroid
Function cif::cif_id_for_number
Template Function cif::coloured
Function cif::construct_for_dihedral_angle
Function cif::construct_from_angle_axis
Function cif::contains
Template Function cif::cosinus_angle
Template Function cif::cross_product
Template Function cif::determinant(const M&)
Template Function cif::determinant(const matrix3x3<F>&)
Template Function cif::dihedral_angle
Template Function cif::distance
Template Function cif::distance_point_to_line
Template Function cif::distance_squared
Template Function cif::dot_product
Function cif::ends_with
Function cif::extend_dictionary
Template Function cif::format
Function cif::fractional
Template Function cif::from_chars
Function cif::get_category_fields
Function cif::get_category_items
Function cif::get_item_ix
Function cif::get_space_group_number(const datablock&)
Function cif::get_space_group_number(std::string_view)
Function cif::get_space_group_number(std::string_view, space_group_name)
Function cif::get_terminal_width
Function cif::get_version_nr
Function cif::icompare(std::string_view, std::string_view)
Function cif::icompare(const char *, const char *)
Function cif::icontains
Function cif::iequals(std::string_view, std::string_view)
Function cif::iequals(const char *, const char *)
Template Function cif::inverse(const M&)
Template Function cif::inverse(const matrix3x3<F>&)
Function cif::is_item_type_uchar
Template Function cif::join(IterType, IterType, std::string_view)
Template Function cif::join(const V&, std::string_view)
Function cif::list_data_directories
Function cif::list_file_resources
Function cif::literals::operator””_key
Function cif::literals::operator””_symop
Function cif::load_resource
Function cif::make_error_code
Function cif::make_error_condition
Function cif::map_to_primitive_type(std::string_view)
Function cif::map_to_primitive_type(std::string_view, std::error_code&)
Function cif::mm::distance
Function cif::mm::distance_squared
Function cif::mm::operator&
Function cif::mm::swap
Function cif::nudge
Function cif::operator and
Function cif::operator not
Function cif::operator or
Template Function cif::operator!=(const key&, const T&)
Function cif::operator!=(const key&, std::string_view)
Function cif::operator!=(const key&, const empty_type&)
Template Function cif::operator*(const matrix_expression<M1>&, T)
Template Function cif::operator*(const matrix_expression<M1>&, const matrix_expression<M2>&)
Function cif::operator*(const matrix3x3<float>&, const point&)
Template Function cif::operator-
Template Function cif::operator<(const key&, const T&)
Function cif::operator<(const key&, std::string_view)
Template Function cif::operator<=(const key&, const T&)
Function cif::operator<=(const key&, std::string_view)
Template Function cif::operator==(const key&, const T&)
Function cif::operator==(const key&, std::string_view)
Template Function cif::operator==(const key&, T)
Function cif::operator==(const key&, const std::regex&)
Function cif::operator==(const key&, const empty_type&)
Template Function cif::operator==(const key&, const std::optional<T>&)
Template Function cif::operator==(const any_type&, const T&)
Function cif::operator==(const any_type&, const std::regex&)
Template Function cif::operator>(const key&, const T&)
Function cif::operator>(const key&, std::string_view)
Template Function cif::operator>=(const key&, const T&)
Function cif::operator>=(const key&, std::string_view)
Function cif::orthogonal
Function cif::parse_bond_type_from_string
Function cif::parse_dictionary
Function cif::parse_stereo_config_from_string
Function cif::pdb::get_AUTHOR_line
Function cif::pdb::get_COMPND_line
Function cif::pdb::get_HEADER_line
Function cif::pdb::get_SOURCE_line
Function cif::pdb::is_valid_pdbx_file(const file&, std::string_view)
Function cif::pdb::is_valid_pdbx_file(const file&, std::error_code&)
Function cif::pdb::is_valid_pdbx_file(const file&, std::string_view, std::error_code&)
Function cif::pdb::read(const std::filesystem::path&)
Function cif::pdb::read(std::istream&)
Function cif::pdb::read_pdb_file
Function cif::pdb::reconstruct_pdbx
Function cif::pdb::write(std::ostream&, const datablock&)
Function cif::pdb::write(std::ostream&, const file&)
Function cif::pdb::write(const std::filesystem::path&, const datablock&)
Function cif::pdb::write(const std::filesystem::path&, const file&)
Function cif::quaternion_to_angle_axis
Function cif::replace_all
Function cif::RMSd
Template Function cif::spherical
Template Function cif::split
Function cif::split_item_name
Function cif::split_tag_name
Function cif::starts_with
Template Function cif::tie
Template Function cif::to_chars(char *, char *, FloatType&, chars_format)
Template Function cif::to_chars(char *, char *, FloatType&, chars_format, int)
Function cif::to_lower
Function cif::to_lower_copy
Function cif::to_string
Function cif::to_upper
Function cif::tolower
Function cif::trim
Function cif::trim_copy
Function cif::trim_left
Function cif::trim_left_copy
Function cif::trim_right
Function cif::trim_right_copy
Function cif::validation_category
Function cif::word_wrap
Variables
Defines
Typedefs
Index
libcifpp
API Reference
Function cif::RMSd
View page source
Function cif::RMSd
Defined in
File point.hpp
Function Documentation
double
cif
::
RMSd
(
const
std
::
vector
<
point
>
&
a
,
const
std
::
vector
<
point
>
&
b
)
The RMSd for the points in
a
and
b
.