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Implements an entry for the loop table (equivalent to the old "ProteinTableEntry" from the previous version. More...
Implements an entry for the loop table (equivalent to the old "ProteinTableEntry" from the previous version.
The two structs below serve to store a single entry in the protein table. To this end they contain endPoint, endDirection and normal, which are required for successful concatenation. The main difference between these two structs is that CompressedProteinTableEntry contains a table entry which had to be packed due to memory restrictions, hence the name. ProteinTableEntry contains two helper functions to concatenate a single amino acid combination and to rotate its endPoint back into the XY plane.
LoopTableEntry | ( | ) |
basic constructor
LoopTableEntry | ( | const LoopTableEntry & | orig | ) |
Constructor based on the copy of another original object
reference | to the original object(const LoopTableEntry&) |
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virtual |
basic destructor
double calculateDeviation | ( | const LoopTableEntry & | other, |
unsigned int | nAmino = 0 |
||
) | const |
Calculates the deviation between src1 and src2 (the object data and the one given parameter )
reference | to the Loop Table entry(const LoopTableEntry&) , number of amino acids(unsigned int) |
LoopTableEntry concatenate | ( | const LoopTableEntry & | dest, |
unsigned int | nChain | ||
) |
Concatenates the table entry this with dest, the result is returned as function value. dest is aligned with this before concatenation. The Omega torsion angle is to be twisted considered for even nChain starting points of src.
reference | to the loop table entry(const LoopTableEntry&),number of chains(unsigned int) |
void copy | ( | const LoopTableEntry & | orig | ) |
copies an original object into the structure
reference | to the original object(const LoopTableEntry&) |
float getBOND_ANGLE_AT_CALPHA_TO_CPRIME | ( | ) |
returns the value of BOND_ANGLE_AT_CALPHA_TO_CPRIME
none |
float getBOND_ANGLE_AT_CPRIME_TO_N | ( | ) |
returns the value of BOND_ANGLE_AT_CPRIME_TO_N
none |
float getBOND_ANGLE_AT_N_TO_CALPHA | ( | ) |
returns the value of BOND_ANGLE_AT_N_TO_CALPHA
none |
float getBOND_LENGTH_CALPHA_TO_CPRIME | ( | ) |
returns the BOND_LENGTH_CALPHA_TO_CPRIME
none |
float getBOND_LENGTH_CPRIME_TO_N | ( | ) |
returns the value of BOND_LENGTH_CPRIME_TO_N
none |
float getBOND_LENGTH_N_TO_CALPHA | ( | ) |
returns the value of BOND_LENGTH_N_TO_CALPHA
none |
LoopTableEntry & operator= | ( | const LoopTableEntry & | orig | ) |
Assigns one original Entry table into another
the | original loop entry table reference(const LoopTableEntry& ) |
vgVector3< float > & operator[] | ( | unsigned int | i | ) |
Obtains the corresponding value depending of the index
index | (unsigned int) |
const vgVector3< float > & operator[] | ( | unsigned int | i | ) | const |
Obtains the corresponding value depending of the index
index | (unsigned int) |
void printTable | ( | unsigned int | k = 0 | ) | const |
Prints an entry data
index | of the entry |
void rotate | ( | const vgVector3< float > & | axis, |
const double | _angle | ||
) |
Rotates this along axis by angle. Axis can be any valid vector, angle is indicated in radians.
reference | to the axis(const vgVector3<float>&), angle to rotate(const double) |
void rotate | ( | const vgMatrix3< float > & | rotationMatrix | ) |
rotates this by angle along axis
reference | to the rotation matrix( const vgMatrix3<float>&) |
float rotateIntoXYPlane | ( | VectorTransformation & | vt | ) |
Rotates the endPoint of this back into the X,Y plane and updates endDirection, normal accordingly. rotate EP into the x,y plane (and update ED & N accordingly) by using the arccos of the x-element of EP as reference for the required angle
reference | to the transformation vector(VectorTransformation&) |
LoopTableEntry setToOrigin | ( | LoopTableEntry & | dest, |
unsigned int | nChain, | ||
VectorTransformation & | vt | ||
) |
setToOrigin is the dual method to concatenate. It reverses the concatenation held there, ie. the source is 'subtracted' from destination.
reference | to the loop table entry(const LoopTableEntry&),number of chains(unsigned int) |
void setToSingleAminoAcid | ( | ) |
Defaults the protein table entry to the simple case where it is a single amino acid.
none |