OpenStructure
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#include <atom_impl.hh>
Inherits GenericPropContainerImpl, and enable_shared_from_this< AtomImpl >.
Atom implementation.
each atom distinguishes between two types of connectors: primary and secondary. each atoms has at most one primary connector: this connects the atom with the atom that serves as the frame of reference for the internal coordinates. the secondary connectors connect this atom with the atoms that themselves depend on the coordinate system of this atom.
Definition at line 49 of file atom_impl.hh.
AtomImpl | ( | const EntityImplPtr & | ent, |
const ResidueImplPtr & | res, | ||
const String & | name, | ||
const geom::Vec3 & | pos, | ||
const String & | ele, | ||
unsigned long | index | ||
) |
~AtomImpl | ( | ) |
void AddSecondaryConnector | ( | const ConnectorImplP & | bp | ) |
void Apply | ( | EntityVisitor & | h | ) |
void ClearDirectionality | ( | ) |
void DeleteAllConnectors | ( | ) |
void DeleteAllTorsions | ( | ) |
void DeleteConnector | ( | const ConnectorImplP & | conn, |
bool | delete_other = true |
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Definition at line 140 of file atom_impl.hh.
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Definition at line 111 of file atom_impl.hh.
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Definition at line 162 of file atom_impl.hh.
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Definition at line 100 of file atom_impl.hh.
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Definition at line 113 of file atom_impl.hh.
EntityImplPtr GetEntity | ( | ) | const |
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Definition at line 226 of file atom_impl.hh.
int GetIntProperty | ( | Prop::ID | prop_id | ) | const |
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Definition at line 161 of file atom_impl.hh.
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Definition at line 66 of file atom_impl.hh.
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Definition at line 154 of file atom_impl.hh.
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Definition at line 80 of file atom_impl.hh.
String GetQualifiedName | ( | ) | const |
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Definition at line 159 of file atom_impl.hh.
ResidueImplPtr GetResidue | ( | ) | const |
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Definition at line 84 of file atom_impl.hh.
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Definition at line 196 of file atom_impl.hh.
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Definition at line 128 of file atom_impl.hh.
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Definition at line 211 of file atom_impl.hh.
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Definition at line 164 of file atom_impl.hh.
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Definition at line 108 of file atom_impl.hh.
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Definition at line 105 of file atom_impl.hh.
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Definition at line 62 of file atom_impl.hh.
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Definition at line 63 of file atom_impl.hh.
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Definition at line 71 of file atom_impl.hh.
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Definition at line 72 of file atom_impl.hh.
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Definition at line 129 of file atom_impl.hh.
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Definition at line 144 of file atom_impl.hh.
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Definition at line 186 of file atom_impl.hh.
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Definition at line 115 of file atom_impl.hh.
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Definition at line 166 of file atom_impl.hh.
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Definition at line 227 of file atom_impl.hh.
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Definition at line 168 of file atom_impl.hh.
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Definition at line 149 of file atom_impl.hh.
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Definition at line 76 of file atom_impl.hh.
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Definition at line 177 of file atom_impl.hh.
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Definition at line 201 of file atom_impl.hh.
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Definition at line 107 of file atom_impl.hh.
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Definition at line 104 of file atom_impl.hh.
void TraceDirectionality | ( | FragmentImplP | frag, |
ConnectorImplP | conn, | ||
int | n, | ||
unsigned int & | c | ||
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trace directionality
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Definition at line 68 of file atom_impl.hh.
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Definition at line 69 of file atom_impl.hh.
void UpdateFromICS | ( | ) |
void UpdateFromXCS | ( | ) |