17 #ifndef _STRUCTURALALIGNMENT_H_
18 #define _STRUCTURALALIGNMENT_H_
24 #include <AlignmentBase.h>
28 using namespace Victor::Biopool;
30 using namespace Victor;
33 namespace Victor {
namespace Align2{
42 EData(
unsigned int _o = 0,
double _d = 0.0) : other(_o), dist(_d) {
50 FData(
unsigned int _mi = 0,
unsigned int _ma = 0,
double _d = 0.0) :
51 min(_mi), max(_ma), dist(_d) {
58 class StructuralAlignment :
public AlignmentBase {
62 StructuralAlignment();
63 StructuralAlignment(
const StructuralAlignment& orig);
64 virtual ~StructuralAlignment();
78 void setTarget(
Spacer& sp) {
82 void setTemplate(
Spacer& sp) {
86 void loadCE(istream& input,
Spacer& spNew);
87 void buildEquivalenceNetwork();
88 void buildFragmentNetwork(
double maxDist = 4.0);
90 void writeData(
double maxDist = 4.0);
91 virtual void copy(
const StructuralAlignment& orig);
101 void pExecStructAli(vgMatrix3<double> rot, vgVector3<double> trans);
108 vector<EData> equivData;
109 vector<FData> fragData;
115 #endif //_STRUCTURALALIGNMENT_H_
Class for structural alignments.
Definition: StructuralAlignment.h:40
Implements a "Spacer" for a protein chain. Includes methods to obtain values from the atoms and its p...
Definition: Spacer.h:42