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Rosetta
2019.12
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Functions | |
Real | PP (Real const &r0, Real const &omega0, Real const &z1, bool &failed) |
Calculates P, the repeat distance of the major helix in the z-direction. More... | |
Real | P_omega0 (Real const &r0, Real const &omega0, Real const &z1, bool const epsilon_equals_one, Real const &dr0_dt, bool &failed) |
Calculates P*omega0 (the repeat distance of the major helix in the z-direction times the major helix turn per residue). More... | |
Real | ALPHA (Real const &r0, Real const &omega0, Real const &Pomega0) |
Calculates alpha, the tilt angle of the minor helix. More... | |
Real | COSFXN (Real const &t, Real const &omega, Real const &delta_omega) |
Calculates cos(omega*t+delta_omega) More... | |
Real | gradnorm (Real const &r0, Real const &omega0, Real const &Pomega0, Real const &s0, Real const &c0) |
Calculates the norm of the gradient vector. More... | |
Real | SINFXN (Real const &t, Real const &omega, Real const &delta_omega) |
Calculates sin(omega*t+delta_omega) More... | |
Real | X_BUNDLE (Real const &t, Real const &r0, Real const &omega0, Real const &delta_omega0, Real const &r1, Real const &omega1, Real const &z1, Real const &delta_omega1, Real const &delta_z1, Real const &epsilon, Real const &dr0prime_dt, bool &failed) |
Calculates the x-position on the helix of helices given the Crick parameters for the bundle. More... | |
Real | Y_BUNDLE (Real const &t, Real const &r0, Real const &omega0, Real const &delta_omega0, Real const &r1, Real const &omega1, Real const &z1, Real const &delta_omega1, Real const &delta_z1, Real const &epsilon, Real const &dr0prime_dt, bool &failed) |
Calculates the y-position on the helix of helices given the Crick parameters for the bundle. More... | |
Real | Z_BUNDLE (Real const &t, Real const &r0, Real const &omega0, Real const &delta_omega0, Real const &r1, Real const &omega1, Real const &z1, Real const &delta_omega1, Real const &delta_z1, Real const &epsilon, Real const &dr0prime_dt, bool &failed) |
Calculates the z-position on the helix of helices given the Crick parameters for the bundle. More... | |
xyzVector< Real > | XYZ_BUNDLE (Real const &t, Real const &r0, Real const &omega0, Real const &delta_omega0, Real const &r1, Real const &omega1, Real const &z1, Real const &delta_omega1, Real const &delta_z1, Real const &epsilon, bool &failed) |
Calculate the x,y,z coordinates of a point on the helix of helices given the Crick parameters for the bundle. More... | |
Real | x (Real const &r1, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the x-coordinate of a point on a helix given r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | y (Real const &r1, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the y-coordinate of a point on a helix given r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | z (Real const &, Real const &, Real const &t, Real const &dz1, Real const &, Real const &delta_z1) |
Returns the z-coordinate of a point on a helix given r1, omega1, and t. Note that this is not translated or rotated. More... | |
xyzVector< Real > | xyz (Real const &r1, Real const &omega1, Real const &t, Real const &dz1, Real const &delta_omega1, Real const &delta_z1) |
Returns the x-, y-, and z-coordinates of a point on a helix given r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dx_dr1 (Real const &, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the derivative of x with respect to r1 for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dy_dr1 (Real const &, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the derivative of y with respect to r1 for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dz_dr1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of z with respect to r1 for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dx_domega1 (Real const &r1, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the derivative of x with respect to omega1 for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dy_domega1 (Real const &r1, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the derivative of y with respect to omega1 for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dz_domega1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of z with respect to omega1 for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dx_ddz1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of x with respect to dz1 (rise per residue) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dy_ddz1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of y with respect to dz1 (rise per residue) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dz_ddz1 (Real const &, Real const &, Real const &t, Real const &, Real const &, Real const &) |
Returns the derivative of z with respect to dz1 (rise per residue) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dx_ddelta_omega1 (Real const &r1, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the derivative of x with respect to delta_omega1 (omega-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dy_ddelta_omega1 (Real const &r1, Real const &omega1, Real const &t, Real const &, Real const &delta_omega1, Real const &) |
Returns the derivative of y with respect to delta_omega1 (omega-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dz_ddelta_omega1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of z with respect to delta_omega1 (omega-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dx_ddelta_z1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of x with respect to delta_z1 (z-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dy_ddelta_z1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of y with respect to delta_z1 (z-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real | dz_ddelta_z1 (Real const &, Real const &, Real const &, Real const &, Real const &, Real const &) |
Returns the derivative of z with respect to delta_z1 (z-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated. More... | |
Real numeric::crick_equations::ALPHA | ( | Real const & | r0, |
Real const & | omega0, | ||
Real const & | Pomega0 | ||
) |
Calculates alpha, the tilt angle of the minor helix.
References numeric::constants::d::pi_2.
Referenced by X_BUNDLE(), Y_BUNDLE(), and Z_BUNDLE().
Real numeric::crick_equations::COSFXN | ( | Real const & | t, |
Real const & | omega, | ||
Real const & | delta_omega | ||
) |
Calculates cos(omega*t+delta_omega)
Referenced by X_BUNDLE(), Y_BUNDLE(), and Z_BUNDLE().
Real numeric::crick_equations::dx_ddelta_omega1 | ( | Real const & | r1, |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the derivative of x with respect to delta_omega1 (omega-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dx_ddelta_z1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of x with respect to delta_z1 (z-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dx_ddz1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of x with respect to dz1 (rise per residue) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dx_domega1 | ( | Real const & | r1, |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the derivative of x with respect to omega1 for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dx_dr1 | ( | Real const & | , |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the derivative of x with respect to r1 for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dy_ddelta_omega1 | ( | Real const & | r1, |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the derivative of y with respect to delta_omega1 (omega-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dy_ddelta_z1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of y with respect to delta_z1 (z-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dy_ddz1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of y with respect to dz1 (rise per residue) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dy_domega1 | ( | Real const & | r1, |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the derivative of y with respect to omega1 for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dy_dr1 | ( | Real const & | , |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the derivative of y with respect to r1 for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dz_ddelta_omega1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of z with respect to delta_omega1 (omega-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dz_ddelta_z1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of z with respect to delta_z1 (z-offset) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dz_ddz1 | ( | Real const & | , |
Real const & | , | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of z with respect to dz1 (rise per residue) for a given value of r1, omega1, and t. Note that this is not translated or rotated.
References basic::options::OptionKeys::in::file::t.
Real numeric::crick_equations::dz_domega1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of z with respect to omega1 for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::dz_dr1 | ( | Real const & | , |
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | , | ||
Real const & | |||
) |
Returns the derivative of z with respect to r1 for a given value of r1, omega1, and t. Note that this is not translated or rotated.
Real numeric::crick_equations::gradnorm | ( | Real const & | r0, |
Real const & | omega0, | ||
Real const & | Pomega0, | ||
Real const & | s0, | ||
Real const & | c0 | ||
) |
Calculates the norm of the gradient vector.
Needed for adding the small delta_z1 offsets, which are in the direction of (dx/dt, dy/dt, dz/dt) of the major helix.
References numeric::constants::d::pi_2, and ObjexxFCL::pow().
Referenced by X_BUNDLE(), Y_BUNDLE(), and Z_BUNDLE().
Real numeric::crick_equations::P_omega0 | ( | Real const & | r0, |
Real const & | omega0, | ||
Real const & | z1, | ||
bool const | epsilon_equals_one, | ||
Real const & | dr0_dt, | ||
bool & | failed | ||
) |
Calculates P*omega0 (the repeat distance of the major helix in the z-direction times the major helix turn per residue).
Sets "failed" to TRUE if and only if the value of P*omega0 could not be calculated.
References numeric::constants::d::pi_2, and ObjexxFCL::pow().
Referenced by X_BUNDLE(), Y_BUNDLE(), and Z_BUNDLE().
Real numeric::crick_equations::PP | ( | Real const & | r0, |
Real const & | omega0, | ||
Real const & | z1, | ||
bool & | failed | ||
) |
Calculates P, the repeat distance of the major helix in the z-direction.
Sets "failed" to TRUE if and only if the value of P could not be calculated.
References numeric::constants::d::pi_2, and ObjexxFCL::pow().
Real numeric::crick_equations::SINFXN | ( | Real const & | t, |
Real const & | omega, | ||
Real const & | delta_omega | ||
) |
Calculates sin(omega*t+delta_omega)
Referenced by X_BUNDLE(), Y_BUNDLE(), and Z_BUNDLE().
Real numeric::crick_equations::x | ( | Real const & | r1, |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the x-coordinate of a point on a helix given r1, omega1, and t. Note that this is not translated or rotated.
Referenced by PyMOL-RosettaServer.Matrix::__init__(), numeric::interpolation::catmull_rom_interpolate_basic(), numeric::geometry::hashing::xyzStripeHash::clash(), numeric::geometry::hashing::xyzStripeHash::clash_amount(), numeric::geometry::hashing::xyzStripeHash::clash_check_ball(), numeric::geometry::hashing::xyzStripeHash::clash_not_resid(), numeric::geometry::hashing::xyzStripeHash::clash_raw(), correct_dunbrack(), correct_rama(), correlation_coefficient(), ObjexxFCL::cross(), ObjexxFCL::cross_product(), ObjexxFCL::cube(), numeric::cube(), DockFragmentsMover::cut_from_map(), numeric::statistics::Dawson(), numeric::interpolation::spline::TricubicSpline::dFdx(), numeric::interpolation::spline::BicubicSpline::dFdx(), numeric::interpolation::spline::TricubicSpline::dFdy(), numeric::interpolation::spline::BicubicSpline::dFdy(), numeric::interpolation::spline::TricubicSpline::dFdz(), numeric::deriv::dihedral_p1_cosine_deriv(), numeric::deriv::dihedral_p2_cosine_deriv(), numeric::dihedral_radians(), numeric::random::do_recursion(), numeric::statistics::errf(), numeric::statistics::errfc(), numeric::statistics::errfcx(), basic::sampling::orientations::Quaternion::euler(), numeric::expand_xforms(), numeric::interpolation::spline::TricubicSpline::F(), numeric::interpolation::spline::BicubicSpline::F(), ObjexxFCL::format::F(), numeric::FArray_to_vector_of_xyzvectors(), numeric::interpolation::spline::BicubicSpline::FdF(), numeric::geometry::hashing::xyzStripeHash::fill_pairs(), numeric::interpolation::spline::SplineGenerator::get_interpolator(), zinc1_homodimer_design::gridsearch_rollmove_angles(), numeric::kinematic_closure::hyper_tan(), numeric::geometry::hashing::xyzStripeHash::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::init(), numeric::inplace_product(), numeric::inplace_transpose_product(), numeric::xyzMatrix< T >::left_multiply_by(), numeric::xyzMatrix< T >::left_multiply_by_transpose(), numeric::nls::lm_lmdif(), main(), make_fragments(), numeric::kinematic_closure::modrf(), numeric::geometry::hashing::xyzStripeHash::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::nbcount(), numeric::geometry::hashing::xyzStripeHash::nbcount_raw(), basic::sampling::orientations::Quaternion::Normalize(), nucleobase_probe_score_test(), numeric::XformHash32::operator()(), numeric::XformHash64::operator()(), numeric::xyzMatrix< T >::operator*=(), numeric::deriv::p1_theta_deriv(), basic::periodic_range(), utility::libsvm::Svm_rosetta::predict(), utility::libsvm::Svm_rosetta::predict_probability(), basic::sampling::orientations::Quaternion::Print(), numeric::linear_algebra::qzvec(), numeric::read_row(), numeric::xyzMatrix< T >::right_multiply_by(), numeric::xyzMatrix< T >::right_multiply_by_transpose(), numeric::rotation_axis(), basic::sampling::orientations::Quaternion::rotation_matrix(), run_pep_prep(), numeric::serialize(), PyMOL-RosettaServer::set_spectrum(), numeric::VoxelGrid< typename >::SetupGrid(), numeric::sin_cos_range(), numeric::statistics::sinc(), numeric::statistics::sinh_taylor(), numeric::interpolation::spline::spline_interpolate(), numeric::interpolation::spline::sqr(), numeric::interpolation::spline::CubicSpline::sqr(), numeric::interpolation::spline::BicubicSpline::sqr(), sqr(), numeric::statistics::sqr(), ObjexxFCL::square(), numeric::square(), ObjexxFCL::CArray< typename >::square(), ObjexxFCL::CArrayP< typename >::square(), ObjexxFCL::ChunkVector< typename >::square(), numeric::linear_algebra::svdcmp(), basic::svd::SVD_Solver::svdcmp(), svm_train(), swap(), utility::sys_sleep(), numeric::UniformRotationSampler::UniformRotationSampler(), numeric::vector_of_xyzvectors_to_FArray(), numeric::geometry::hashing::xyzStripeHash::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::visit(), numeric::geometry::hashing::xyzStripeHash::visit_lax(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::visit_lax(), numeric::statistics::w(), numeric::statistics::w_im(), numeric::statistics::w_im_y100(), xyz(), and rosetta_binders::xyzVector_add_on_binder().
Real numeric::crick_equations::X_BUNDLE | ( | Real const & | t, |
Real const & | r0, | ||
Real const & | omega0, | ||
Real const & | delta_omega0, | ||
Real const & | r1, | ||
Real const & | omega1, | ||
Real const & | z1, | ||
Real const & | delta_omega1, | ||
Real const & | delta_z1, | ||
Real const & | epsilon, | ||
Real const & | dr0prime_dt, | ||
bool & | failed | ||
) |
Calculates the x-position on the helix of helices given the Crick parameters for the bundle.
Returns failed=true if calculation fails, failed=false otherwise.
References ALPHA(), COSFXN(), gradnorm(), P_omega0(), basic::options::OptionKeys::stepwise::s1, and SINFXN().
Referenced by XYZ_BUNDLE().
xyzVector< Real > numeric::crick_equations::XYZ_BUNDLE | ( | Real const & | t, |
Real const & | r0, | ||
Real const & | omega0, | ||
Real const & | delta_omega0, | ||
Real const & | r1, | ||
Real const & | omega1, | ||
Real const & | z1, | ||
Real const & | delta_omega1, | ||
Real const & | delta_z1, | ||
Real const & | epsilon, | ||
bool & | failed | ||
) |
Calculate the x,y,z coordinates of a point on the helix of helices given the Crick parameters for the bundle.
Not quite as efficient as it could be, but it probably doesn't matter. (If I really wanted to optimize this, I'd make sure that c0, c1, s0, s1, and alpha were all calculated once rather than thrice.) Returns failed=true if calculation fails, failed=false otherwise.
References numeric::xyzVector< typename >::assign(), numeric::xyzVector< typename >::x(), X_BUNDLE(), numeric::xyzVector< typename >::y(), Y_BUNDLE(), numeric::xyzVector< typename >::z(), and Z_BUNDLE().
Real numeric::crick_equations::y | ( | Real const & | r1, |
Real const & | omega1, | ||
Real const & | t, | ||
Real const & | , | ||
Real const & | delta_omega1, | ||
Real const & | |||
) |
Returns the y-coordinate of a point on a helix given r1, omega1, and t. Note that this is not translated or rotated.
Referenced by numeric::geometry::hashing::xyzStripeHash::clash(), numeric::geometry::hashing::xyzStripeHash::clash_amount(), numeric::geometry::hashing::xyzStripeHash::clash_check_ball(), numeric::geometry::hashing::xyzStripeHash::clash_not_resid(), numeric::geometry::hashing::xyzStripeHash::clash_raw(), correct_dunbrack(), correct_rama(), correlation_coefficient(), ObjexxFCL::cross(), ObjexxFCL::cross_product(), DockFragmentsMover::cut_from_map(), ObjexxFCL::date(), numeric::statistics::Dawson(), numeric::interpolation::Histogram< typename, typename >::derivative(), numeric::interpolation::spline::BicubicSpline::dFdx(), numeric::interpolation::spline::BicubicSpline::dFdy(), numeric::dihedral_radians(), numeric::statistics::errf(), numeric::statistics::errfc(), basic::sampling::orientations::Quaternion::euler(), numeric::interpolation::spline::BicubicSpline::F(), numeric::FArray_to_vector_of_xyzvectors(), numeric::interpolation::spline::BicubicSpline::FdF(), numeric::geometry::hashing::xyzStripeHash::fill_pairs(), numeric::interpolation::spline::SplineGenerator::get_interpolator(), zinc1_homodimer_design::gridsearch_rollmove_angles(), numeric::geometry::hashing::xyzStripeHash::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::init(), numeric::inplace_product(), numeric::inplace_transpose_product(), numeric::MathMatrix< float >::inverse_tridiagonal_matrix(), Kernel::k_function(), numeric::xyzMatrix< T >::left_multiply_by(), numeric::xyzMatrix< T >::left_multiply_by_transpose(), main(), max(), min(), numeric::geometry::hashing::xyzStripeHash::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::nbcount(), numeric::geometry::hashing::xyzStripeHash::nbcount_raw(), basic::sampling::orientations::Quaternion::Normalize(), nucleobase_probe_score_test(), numeric::xyzMatrix< T >::operator*=(), basic::sampling::orientations::Quaternion::Print(), numeric::linear_algebra::qzvec(), numeric::interpolation::Histogram< typename, typename >::read_from_db(), numeric::read_row(), numeric::xyzMatrix< T >::right_multiply_by(), numeric::xyzMatrix< T >::right_multiply_by_transpose(), numeric::rotation_axis(), basic::sampling::orientations::Quaternion::rotation_matrix(), run_pep_prep(), numeric::geometry::hashing::xyzStripeHash::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::sanity_check(), numeric::serialize(), numeric::VoxelGrid< typename >::SetupGrid(), solve_c_svc(), solve_epsilon_svr(), solve_nu_svc(), solve_nu_svr(), utility::string2uint(), numeric::linear_algebra::svdcmp(), basic::svd::SVD_Solver::svdcmp(), swap(), numeric::kinematic_closure::torsion(), numeric::kinematic_closure::radians::torsion(), numeric::UniformRotationSampler::UniformRotationSampler(), numeric::vector_of_xyzvectors_to_FArray(), numeric::geometry::hashing::xyzStripeHash::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::visit(), numeric::geometry::hashing::xyzStripeHash::visit_lax(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::visit_lax(), numeric::statistics::w(), xyz(), and rosetta_binders::xyzVector_add_on_binder().
Real numeric::crick_equations::Y_BUNDLE | ( | Real const & | t, |
Real const & | r0, | ||
Real const & | omega0, | ||
Real const & | delta_omega0, | ||
Real const & | r1, | ||
Real const & | omega1, | ||
Real const & | z1, | ||
Real const & | delta_omega1, | ||
Real const & | delta_z1, | ||
Real const & | epsilon, | ||
Real const & | dr0prime_dt, | ||
bool & | failed | ||
) |
Calculates the y-position on the helix of helices given the Crick parameters for the bundle.
Calculates the x-position on the helix of helices given the Crick parameters for the bundle.
Returns failed=true if calculation fails, failed=false otherwise.
References ALPHA(), COSFXN(), gradnorm(), P_omega0(), basic::options::OptionKeys::stepwise::s1, and SINFXN().
Referenced by XYZ_BUNDLE().
Real numeric::crick_equations::z | ( | Real const & | , |
Real const & | , | ||
Real const & | t, | ||
Real const & | dz1, | ||
Real const & | , | ||
Real const & | delta_z1 | ||
) |
Returns the z-coordinate of a point on a helix given r1, omega1, and t. Note that this is not translated or rotated.
Referenced by numeric::geometry::hashing::xyzStripeHash::clash(), numeric::geometry::hashing::xyzStripeHash::clash_amount(), numeric::geometry::hashing::xyzStripeHash::clash_check_ball(), numeric::geometry::hashing::xyzStripeHash::clash_not_resid(), numeric::geometry::hashing::xyzStripeHash::clash_raw(), ObjexxFCL::cross(), ObjexxFCL::cross_product(), DockFragmentsMover::cut_from_map(), numeric::model_quality::erfcc(), basic::sampling::orientations::Quaternion::euler(), numeric::FArray_to_vector_of_xyzvectors(), numeric::geometry::hashing::xyzStripeHash::fill_pairs(), numeric::VoxelGrid< typename >::GetNeighborsMultiDimensional(), zinc1_homodimer_design::gridsearch_rollmove_angles(), numeric::VoxelGrid< typename >::HasNeighborsMultiDimensional(), numeric::geometry::hashing::xyzStripeHash::init(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::init(), numeric::xyzMatrix< T >::left_multiply_by(), numeric::xyzMatrix< T >::left_multiply_by_transpose(), main(), numeric::geometry::hashing::xyzStripeHash::nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::nbcount(), numeric::geometry::hashing::xyzStripeHash::nbcount_raw(), basic::sampling::orientations::Quaternion::Normalize(), nucleobase_probe_score_test(), numeric::xyzMatrix< T >::operator*=(), basic::sampling::orientations::Quaternion::Print(), numeric::linear_algebra::qzhes(), numeric::linear_algebra::qzit(), numeric::linear_algebra::qzval(), numeric::linear_algebra::qzvec(), numeric::read_row(), numeric::linear_algebra::rgg(), numeric::xyzMatrix< T >::right_multiply_by(), numeric::xyzMatrix< T >::right_multiply_by_transpose(), numeric::rotation_axis(), basic::sampling::orientations::Quaternion::rotation_matrix(), run_pep_prep(), numeric::geometry::hashing::xyzStripeHash::sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::sanity_check(), numeric::serialize(), numeric::VoxelGrid< typename >::SetupGrid(), numeric::linear_algebra::svdcmp(), basic::svd::SVD_Solver::svdcmp(), numeric::kinematic_closure::torsion(), numeric::kinematic_closure::radians::torsion(), numeric::UniformRotationSampler::UniformRotationSampler(), numeric::vector_of_xyzvectors_to_FArray(), numeric::geometry::hashing::xyzStripeHash::visit(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::visit(), numeric::geometry::hashing::xyzStripeHash::visit_lax(), numeric::geometry::hashing::xyzStripeHashWithMeta< float >::visit_lax(), xyz(), and rosetta_binders::xyzVector_add_on_binder().
Real numeric::crick_equations::Z_BUNDLE | ( | Real const & | t, |
Real const & | r0, | ||
Real const & | omega0, | ||
Real const & | delta_omega0, | ||
Real const & | r1, | ||
Real const & | omega1, | ||
Real const & | z1, | ||
Real const & | delta_omega1, | ||
Real const & | delta_z1, | ||
Real const & | epsilon, | ||
Real const & | dr0prime_dt, | ||
bool & | failed | ||
) |
Calculates the z-position on the helix of helices given the Crick parameters for the bundle.
Calculates the x-position on the helix of helices given the Crick parameters for the bundle.
Returns failed=true if calculation fails, failed=false otherwise.
References ALPHA(), COSFXN(), gradnorm(), P_omega0(), numeric::constants::d::pi_2, basic::options::OptionKeys::stepwise::s1, and SINFXN().
Referenced by XYZ_BUNDLE().