#include <PBlockConnection.h>
PBlockConnection
is used to specify and create connections between blocks. A pair of blocks (such as backbone and sidechain) can form a simple residue, or they can be connected to additional blocks (e.g. to include oxygen atoms or hydrogen atoms).
Public Member Functions | |
PBlockConnection (const string &definedBlock, const string &blockToDefine, const HASH_MAP_STRPAIR_EX(Vector3)&relativePositions, const vector< PBlockBondShell > &blockConnections) | |
void | GenerateNewBlock (PBlock *blockDefined, PBlock *incompleteBlock) |
void | BondBlocksTogether (PBlock *blockDefined, PBlock *blockJustDefined) |
StringPair | getName () const |
PBlockConnection::PBlockConnection | ( | const string & | definedBlock, | |
const string & | blockToDefine, | |||
const HASH_MAP_STRPAIR_EX(Vector3)& | relativePositions, | |||
const vector< PBlockBondShell > & | blockConnections | |||
) |
Constructs a new PBlockConnection
. Required are: the string
ID of the defined block and block being defined; the map of relative positions, as defined in doc/FORMATS
; and the vector
of block connections specifying which atoms form inter-block bonds.
NewBlock is generated by using the map of relative positions, as defined in doc/FORMATS
; and the vector
of block connections specifying which atoms form inter-block bonds.
Bonds the newly generated block with correct global positions.
StringPair PBlockConnection::getName | ( | ) | const [inline] |
Returns the StringPair
of the defined block and todefine block.