Gemmi C++ API
|
This is the complete list of members for gemmi::UnitCell, including all inherited members.
a | gemmi::UnitCell | |
add_ncs_images_to_cs_images(const std::vector< NcsOp > &ncs) | gemmi::UnitCell | inline |
alpha | gemmi::UnitCell | |
apply_transform(Fractional &fpos, int image_idx, bool inverse) const | gemmi::UnitCell | inline |
approx(const UnitCell &o, double epsilon) const | gemmi::UnitCell | inline |
ar | gemmi::UnitCell | |
b | gemmi::UnitCell | |
beta | gemmi::UnitCell | |
br | gemmi::UnitCell | |
c | gemmi::UnitCell | |
calculate_1_d2(const Miller &hkl) const | gemmi::UnitCell | inline |
calculate_1_d2_double(double h, double k, double l) const | gemmi::UnitCell | inline |
calculate_d(const Miller &hkl) const | gemmi::UnitCell | inline |
calculate_matrix_B() const | gemmi::UnitCell | inline |
calculate_properties() | gemmi::UnitCell | inline |
calculate_stol_sq(const Miller &hkl) const | gemmi::UnitCell | inline |
calculate_u_eq(const SMat33< double > &ani) const | gemmi::UnitCell | inline |
changed_basis_backward(const Op &op, bool set_images) | gemmi::UnitCell | inline |
changed_basis_forward(const Op &op, bool set_images) | gemmi::UnitCell | inline |
cos_alpha() const | gemmi::UnitCell | inline |
cos_alphar | gemmi::UnitCell | |
cos_betar | gemmi::UnitCell | |
cos_gammar | gemmi::UnitCell | |
cr | gemmi::UnitCell | |
cs_count | gemmi::UnitCell | |
distance_sq(const Fractional &pos1, const Fractional &pos2) const | gemmi::UnitCell | inline |
distance_sq(const Position &pos1, const Position &pos2) const | gemmi::UnitCell | inline |
explicit_matrices | gemmi::UnitCell | |
find_nearest_image(const Position &ref, const Position &pos, Asu asu) const | gemmi::UnitCell | inline |
find_nearest_pbc_image(const Fractional &fref, Fractional fpos, int image_idx) const | gemmi::UnitCell | inline |
find_nearest_pbc_image(const Position &ref, const Position &pos, int image_idx) const | gemmi::UnitCell | inline |
find_nearest_pbc_position(const Position &ref, const Position &pos, int image_idx, bool inverse=false) const | gemmi::UnitCell | inline |
frac | gemmi::UnitCell | |
fractionalize(const Position &o) const | gemmi::UnitCell | inline |
fractionalize_difference(const Position &delta) const | gemmi::UnitCell | inline |
gamma | gemmi::UnitCell | |
get_hkl_limits(double dmin) const | gemmi::UnitCell | inline |
get_ncs_transforms() const | gemmi::UnitCell | inline |
images | gemmi::UnitCell | |
is_compatible_with_groupops(const GroupOps &gops, double eps=1e-3) | gemmi::UnitCell | inline |
is_compatible_with_spacegroup(const SpaceGroup *sg, double eps=1e-3) | gemmi::UnitCell | inline |
is_crystal() const | gemmi::UnitCell | inline |
is_similar(const UnitCell &o, double rel, double deg) const | gemmi::UnitCell | inline |
is_special_position(const Fractional &fpos, double max_dist) const | gemmi::UnitCell | inline |
is_special_position(const Position &pos, double max_dist=0.8) const | gemmi::UnitCell | inline |
metric_tensor() const | gemmi::UnitCell | inline |
op_as_transform(const Op &op) const | gemmi::UnitCell | inline |
operator!=(const UnitCell &o) const | gemmi::UnitCell | inline |
operator==(const UnitCell &o) const | gemmi::UnitCell | inline |
orth | gemmi::UnitCell | |
orthogonalize(const Fractional &f) const | gemmi::UnitCell | inline |
orthogonalize_box(const Box< Fractional > &f) const | gemmi::UnitCell | inline |
orthogonalize_difference(const Fractional &delta) const | gemmi::UnitCell | inline |
orthogonalize_in_pbc(const Position &ref, const Fractional &fpos) const | gemmi::UnitCell | inline |
primitive_orth_matrix(char centring_type) const | gemmi::UnitCell | inline |
reciprocal() const | gemmi::UnitCell | inline |
reciprocal_metric_tensor() const | gemmi::UnitCell | inline |
search_pbc_images(Fractional &&diff, NearestImage &image) const | gemmi::UnitCell | inline |
set(double a_, double b_, double c_, double alpha_, double beta_, double gamma_) | gemmi::UnitCell | inline |
set_cell_images_from_spacegroup(const SpaceGroup *sg) | gemmi::UnitCell | inline |
set_from_vectors(const Vec3 &va, const Vec3 &vb, const Vec3 &vc) | gemmi::UnitCell | inline |
set_matrices_from_fract(const Transform &f) | gemmi::UnitCell | inline |
UnitCell()=default | gemmi::UnitCell | |
UnitCell(double a_, double b_, double c_, double alpha_, double beta_, double gamma_) | gemmi::UnitCell | inline |
UnitCell(const std::array< double, 6 > &v) | gemmi::UnitCell | inline |
volume | gemmi::UnitCell | |
volume_per_image() const | gemmi::UnitCell | inline |