#include <xyzStripeHashPose.hh>
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| | xyzStripeHashPose (double radius=0.0) |
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| | xyzStripeHashPose (core::pose::Pose const &p, PoseCoordPickMode m=BB, double radius=0.0) |
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| | xyzStripeHashPose (core::pose::Pose const &p, core::id::AtomID_Map< double > const &amap, double radius=0.0) |
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| void | add_pose (core::pose::Pose const &p, core::id::AtomID_Map< double > const amap) |
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| void | add_pose (core::pose::Pose const &p, PoseCoordPickMode m=BB) |
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| void | init_posehash () |
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| | xyzStripeHash (float grid_size=0.0, utility::vector1< Ball > const &balls=utility::vector1< Ball >()) |
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| void | init (utility::vector1< Ball > const &balls) |
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| virtual | ~xyzStripeHash () |
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| const_iterator | begin () const |
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| const_iterator | end () const |
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| bool | sanity_check () const |
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| int | nbcount (Vec const &v_in) const |
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| int | nbcount_raw (Vec const &v) const |
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| bool | clash (Vec const &v_in) const |
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| bool | clash_not_resid (Vec const &v_in, int resid) const |
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| bool | clash_raw (Vec const &v) const |
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| void | fill_pairs (Vec const &v, int const &ir, utility::vector1< std::pair< int, int > > &pairs, float maxd2=0.0) const |
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| void | visit (Vec const &v_in, V &visitor) const |
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| void | visit_lax (Vec const &v_in, float const vr, V &visitor) const |
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| Ball const * | grid_atoms () const |
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| ushort2 const * | grid_stripe () const |
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| int | natom () const |
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| int | xdim () const |
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| int | ydim () const |
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| int | zdim () const |
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| float | grid_size () const |
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| float | grid_size2 () const |
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| numeric::xyzVector< float > const & | translation () const |
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| protocols::sic_dock::xyzStripeHashPose::xyzStripeHashPose |
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double |
radius = 0.0 | ) |
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References core::conformation::Residue::atom_type(), balls_, initialized_, core::chemical::AtomType::lj_radius(), core::id::AtomID_Map< T >::n_atom(), core::pose::Pose::n_residue(), core::pose::Pose::residue(), utility_exit_with_message, numeric::xyzVector< class >::x(), core::pose::Pose::xyz(), numeric::xyzVector< class >::y(), and numeric::xyzVector< class >::z().
Referenced by add_pose(), and xyzStripeHashPose().
References add_pose(), protocols::sic_dock::ALL, core::conformation::Residue::atom_index(), protocols::sic_dock::BB, protocols::sic_dock::CA, protocols::sic_dock::CB, protocols::sic_dock::CBorCA, core::pose::initialize_atomid_map(), core::pose::Pose::n_residue(), numeric::geometry::hashing::xyzStripeHash::natom(), protocols::sic_dock::NBR, protocols::sic_dock::NCAC, protocols::sic_dock::NCO, and core::pose::Pose::residue().
| void protocols::sic_dock::xyzStripeHashPose::init_posehash |
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| bool protocols::sic_dock::xyzStripeHashPose::initialized_ |
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private |
The documentation for this class was generated from the following files:
Public Member Functions inherited from numeric::geometry::hashing::xyzStripeHash
1.8.7