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 134 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 156 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 220 of file atom_impl.hh.
int GetIntProperty | ( | Prop::ID | prop_id | ) | const |
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Definition at line 155 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 148 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 153 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 190 of file atom_impl.hh.
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Definition at line 122 of file atom_impl.hh.
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Definition at line 205 of file atom_impl.hh.
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Definition at line 158 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 123 of file atom_impl.hh.
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Definition at line 138 of file atom_impl.hh.
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Definition at line 180 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 160 of file atom_impl.hh.
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Definition at line 221 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 143 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 171 of file atom_impl.hh.
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Definition at line 195 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 | ( | ) |