ElfPSP_ParallelABC/abc__alg_8h_source.html

 #ifndef ABC_ALG_H
 #define ABC_ALG_H

 #include <movchain.h>
 #include <hpchain.h>
 #include <config.h>

 #include <solution/solution.h>

 typedef struct PredResults_ {
     double fitness;
     int contactsH;
     int collisions;
     double bbGyration;
 } PredResults;

 Solution ABC_predict_structure(const HPElem * hpChain, int hpSize, int nCycles, PredResults *results);

 #endif // ABC_ALG_H
solution.h
Routines for manipulating Solution objects, such as creation, randomization, perturbation etc...

config.h
Routines for manipulating the configuration YML file.

PredResults_::collisions
int collisions
Number of collisions among beads.
Definition: abc_alg.h:16

movchain.h
Routines for managing chains of MovElem units.

PredResults
struct PredResults_ PredResults
Structure for returning prediction results to the user.

PredResults_::contactsH
int contactsH
Number of H contacts.
Definition: abc_alg.h:15

hpchain.h
Routines for handling HP chains.

ABC_predict_structure
Solution ABC_predict_structure(const HPElem *hpChain, int hpSize, int nCycles, PredResults *results)
Given a protein in the HPElem * format, searches the 3D conformation with minimal energy...
Definition: abc_alg_parallel.c:232

PredResults_
Structure for returning prediction results to the user.
Definition: abc_alg.h:13

HPElem
char HPElem
HPChain is how we call an array of HPElem.
Definition: hpchain.h:9

PredResults_::fitness
double fitness
Fitness of the predicted protein.
Definition: abc_alg.h:14

Solution_
Encapsulates a solution, which is a protein conformation that is developed by a bee.
Definition: solution_structure_private.h:5

PredResults_::bbGyration
double bbGyration
Gyration radius for the backbone beads.
Definition: abc_alg.h:17