VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |
#include <weighted_terms.h>
Public Member Functions | |
weighted_terms (const terms *t, const flv &weights) | |
atom_type::t | atom_typing_used () const |
fl | cutoff () const |
fl | eval (sz t1, sz t2, fl r) const |
fl | conf_independent (const model &m, fl e) const |
Private Member Functions | |
weighted_terms () | |
Private Attributes | |
const terms * | t |
flv | weights |
atom_type::t | atom_typing_used_ |
fl | cutoff_ |
szv | enabled_usable_terms |
References atom_typing_used_, cutoff_, terms::distance_additive_terms, term_set< T >::enabled, enabled_usable_terms, term_set< T >::num_enabled(), terms::usable_terms, VINA_CHECK, and VINA_FOR_IN.
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inlineprivate |
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inlinevirtual |
Implements scoring_function.
References atom_typing_used_.
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inlinevirtual |
Implements scoring_function.
References cutoff_.
Implements scoring_function.
References enabled_usable_terms, t, terms::usable_terms, VINA_FOR_IN, and weights.
Implements scoring_function.
References enabled_usable_terms, terms::eval_conf_independent(), t, and weights.
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private |
Referenced by conf_independent(), and eval().
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private |
Referenced by conf_independent(), and eval().
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private |
Referenced by atom_typing_used(), and weighted_terms().
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private |
Referenced by cutoff(), and weighted_terms().
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private |
Referenced by conf_independent(), eval(), and weighted_terms().