18 #ifndef _RAMACHANDRANDATA_H_
19 #define _RAMACHANDRANDATA_H_
25 namespace Victor {
namespace Lobo {
34 inline double sqr(
double x) {
53 static double getAngleTol() {
54 return (PHI_ANGLE_TOL + PSI_ANGLE_TOL) / 2.0;
59 void load(istream& input);
60 void save(ostream& output);
63 static void setAngleTol(
float t) {
68 static void setPhiAngleTol(
float t) {
72 static void setPsiAngleTol(
float t) {
82 static float PHI_ANGLE_TOL;
83 static float PSI_ANGLE_TOL;
85 unsigned long nextRama;
86 vector<double> ramaPhi;
87 vector<double> ramaPsi;
105 inline double RamachandranData::pGetRand() {
107 for (
unsigned int i = 0; i < 12; i++)
108 tmp += static_cast<double> (rand()) / RAND_MAX;
115 #endif //_RAMACHANDRANDATA_H_
RamachandranData()
Definition: RamachandranData.cc:34
double getRandomPsi(bool noAdvance=false)
Definition: RamachandranData.cc:75
virtual ~RamachandranData()
Definition: RamachandranData.cc:47
double getRandomPhi(bool noAdvance=false)
Definition: RamachandranData.cc:59
void copy(const RamachandranData &orig)
Definition: RamachandranData.cc:94
This struct implements the container for ramachandran plot-like phi/psi angle combinations for the Lo...
Definition: RamachandranData.h:42
void cluster(double cutoff)
Definition: RamachandranData.cc:151
RamachandranData & operator=(const RamachandranData &orig)
Definition: RamachandranData.cc:189
void load(istream &input)
Definition: RamachandranData.cc:106
void save(ostream &output)
Definition: RamachandranData.cc:134