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Functions634 in github.com/QVina/qvina

⨍ Functions 634◇ Types & classes 142

↓ 3 callersMethodset_derivative

src/lib/tree.h:91

↓ 3 callersFunctionslope_step

src/lib/everything.cpp:122

↓ 3 callersMethodspan

src/lib/grid_dim.h:35

↓ 3 callersFunctionstring_write_coord

src/lib/model.cpp:540

↓ 3 callersMethodsum_force_and_torque

src/lib/tree.h:71

↓ 3 callersFunctionszv_grid_dims

src/lib/szv_grid.cpp:84

↓ 3 callersMethodwithin

src/lib/non_cache.cpp:70

↓ 3 callersFunctionxs_radius

src/lib/atom_constants.h:229

↓ 2 callersFunctionVINA_FOR_IN

src/lib/szv_grid.cpp:28

↓ 2 callersFunctionVINA_FOR_IN

src/lib/manifold.cpp:47

↓ 2 callersMethodadd

src/lib/parse_pdbqt.cpp:197

↓ 2 callersFunctionadd_bonds

src/lib/parse_pdbqt.cpp:368

↓ 2 callersMethodatom_typing_used

src/lib/precalculate.h:146

↓ 2 callersFunctionchecked_multiply

src/lib/array3d.h:29

↓ 2 callersMethodconf_independent

src/lib/weighted_terms.cpp:47

↓ 2 callersFunctioncross_product

src/lib/common.h:136

↓ 2 callersFunctiondefault_prefix

src/split/split.cpp:45

↓ 2 callersFunctiondo_search

src/main/main.cpp:156

↓ 2 callersMethodessentially_empty

src/lib/parse_pdbqt.cpp:226

↓ 2 callersFunctioneval_interacting_pairs_deriv

src/lib/model.cpp:617

↓ 2 callersMethodevaluate

src/lib/grid.h:49

↓ 2 callersFunctionfind_closest

src/lib/coords.cpp:33

↓ 2 callersMethodflush

src/lib/tee.h:36

↓ 2 callersMethodget

src/lib/atom_type.h:33

↓ 2 callersFunctionget_branch_metrics

src/lib/model.cpp:45

↓ 2 callersMethodget_initial_conf

src/lib/model.cpp:506

↓ 2 callersFunctionget_rankings

src/lib/statistics.h:98

↓ 2 callersFunctiongrid_dims_begin

src/lib/grid_dim.h:62

↓ 2 callersFunctiongrid_dims_end

src/lib/grid_dim.h:69

↓ 2 callersMethodindex_to_argument

src/lib/grid.h:41

↓ 2 callersMethodinitialize_from_nrp

src/lib/parse_pdbqt.cpp:571

↓ 2 callersMethodinitialize_from_rigid

src/lib/parse_pdbqt.cpp:567

↓ 2 callersFunctioninner_product_shortest

src/lib/terms.cpp:115

↓ 2 callersMethodinsert_inflex

inflex atom insertion

src/lib/parse_pdbqt.cpp:167

↓ 2 callersMethodloop

src/lib/parallel.h:61

↓ 2 callersFunctionmake_path

src/split/split.cpp:40

↓ 2 callersFunctionminus_mat_vec_product

src/lib/bfgs.h:32

↓ 2 callersMethodmobility_matrix

src/lib/parse_pdbqt.cpp:150

↓ 2 callersMethodmovable_atoms_box

src/lib/model.cpp:515

↓ 2 callersFunctionnormalized_angle

src/lib/common.h:288

↓ 2 callersMethodnum_floats

src/lib/conf.h:302

↓ 2 callersMethodoptimal_covalent_bond_length

src/lib/atom_type.h:64

↓ 2 callersFunctionparse_pdbqt_aux

src/lib/parse_pdbqt.cpp:346

↓ 2 callersFunctionparse_pdbqt_branch_aux

src/lib/parse_pdbqt.cpp:332

↓ 2 callersFunctionparse_pdbqt_rigid

src/lib/parse_pdbqt.cpp:258

↓ 2 callersFunctionparse_receptor_pdbqt

src/lib/parse_pdbqt.cpp:629

↓ 2 callersFunctionparse_two_unsigneds

src/lib/parse_pdbqt.cpp:247

↓ 2 callersFunctionpostprocess_branch

B == branch or main_branch or flexible_body

src/lib/parse_pdbqt.cpp:407

↓ 2 callersFunctionquaternion_normalize_approx

src/lib/quaternion.h:84

↓ 2 callersFunctionrefine_structure

src/main/main.cpp:119

↓ 2 callersFunctionset_diagonal

src/lib/bfgs.h:85

↓ 2 callersMethodset_to_null

src/lib/conf.h:334

↓ 2 callersMethodsize_conf_independent

src/lib/terms.cpp:147

↓ 2 callersFunctionsmooth_div

src/lib/everything.cpp:214

↓ 2 callersFunctionsolvation_parameter

src/lib/everything.cpp:46

↓ 2 callersFunctionsum

src/lib/common.h:304

↓ 2 callersMethodto_parse_error

src/lib/parse_pdbqt.cpp:40

↓ 2 callersFunctiontorsions_generate

src/lib/conf.h:71

↓ 2 callersFunctiontorsions_increment

src/lib/conf.h:51

↓ 2 callersFunctiontorsions_randomize

src/lib/conf.h:58

↓ 2 callersFunctiontorsions_set_to_null

src/lib/conf.h:46

↓ 2 callersFunctiontorsions_too_close

src/lib/conf.h:63

↓ 2 callersMethodtransform

src/lib/tree.h:58

↓ 2 callersFunctiontransform_ranges

tree or heterotree - like structure

src/lib/tree.h:253

↓ 2 callersFunctionvina_remark

src/main/main.cpp:137

↓ 2 callersFunctionvolume

src/lib/everything.cpp:53

↓ 2 callersFunctionwrite_all_output

src/main/main.cpp:76

↓ 2 callersFunctionwrite_pdbqt

src/split/split.cpp:114

↓ 2 callersFunctionxs_donor_acceptor

src/lib/atom_constants.h:271

↓ 2 callersFunctionxs_is_acceptor

src/lib/atom_constants.h:256

↓ 2 callersFunctionxs_is_donor

src/lib/atom_constants.h:263

↓ 1 callersFunctionVINA_FOR

src/main/main.cpp:83

↓ 1 callersFunctionVINA_FOR_IN

src/lib/coords.cpp:35

↓ 1 callersFunctionVINA_FOR_IN

src/lib/non_cache.cpp:42

↓ 1 callersMethodacceptable_type

src/lib/atom_type.h:48

↓ 1 callersFunctionad_is_heteroatom

src/lib/atom_constants.h:175

↓ 1 callersFunctionad_is_hydrogen

src/lib/atom_constants.h:171

↓ 1 callersFunctionad_type_to_el_type

src/lib/atom_constants.h:181

↓ 1 callersMethodadd

src/lib/model.cpp:297

↓ 1 callersMethodapply

src/lib/conf.h:134

↓ 1 callersMethodassign_el

src/lib/atom_type.h:51

↓ 1 callersFunctionauto_seed

src/lib/random.cpp:85

↓ 1 callersFunctionbfgs

src/lib/bfgs.h:104

↓ 1 callersFunctionbfgs_update

src/lib/bfgs.h:51

↓ 1 callersFunctionbrick_closest

src/lib/brick.h:35

↓ 1 callersMethodcheck

differences: * 1- I check also the value of f * 2- point is considered interesting if only half of number of variables contains stationary points */

src/lib/visited.cpp:20

↓ 1 callersFunctioncheck_occurrence

src/main/main.cpp:387

↓ 1 callersMethodclash_penalty

src/lib/model.cpp:878

↓ 1 callersFunctionclosest_between

src/lib/brick.h:28

↓ 1 callersFunctionconf_is_legal

src/lib/manifold.cpp:56

↓ 1 callersFunctioncoords_to_pdbqt_string

src/lib/model.cpp:552

↓ 1 callersFunctioncount_mutable_entities

src/lib/mutate.cpp:25

↓ 1 callersFunctioncount_torsions

T = main_branch, branch, flexible_body

src/lib/tree.h:223

↓ 1 callersMethodcutoff

src/lib/weighted_terms.h:31

↓ 1 callersFunctiondefault_output

src/main/main.cpp:69

↓ 1 callersFunctiondetermine_iu

src/lib/manifold.cpp:45

↓ 1 callersMethoddist2

src/lib/visited.cpp:3

↓ 1 callersFunctiondo_randomization

src/main/main.cpp:89

↓ 1 callersFunctionelementwise_product

src/lib/common.h:142

↓ 1 callersMethodeval

src/lib/model.cpp:650

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