cuikenergy.c
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237 fprintf(stderr," <log|nolog> [optional] Applies (or not) the log to the energy (default: nolog).\n");
238 fprintf(stderr," <scale|noscale> [optional] Scales (or not) the energy to the range [0,1] (default: scale).\n");
void First(Titerator *i) Moves an iterator to the first position of its associated list. Definition: list.c:356 double BioWorldEnergy(Tparameters *p, boolean simp, double *conformation, void *bw) Computes the energy of a given configuration. Definition: bioworld.c:1902 Data structure to hold the information about the name of a file. Definition: filename.h:271 Definition of the Tfilename type and the associated functions. boolean ReadListOfBoxes(char *filename, Tlist *l) Reads a list of boxes from a file. Definition: box_list.c:286 Collection of methods to work on Tlist of boxes. Error and warning functions. boolean EndOfList(Titerator *i) Checks if an iterator is pointing at the end of the list. Definition: list.c:445 Definitions of constants and macros used in several parts of the cuik library. boolean InitBioWorld(Tparameters *p, char *filename, unsigned int maxAtomsLink, double **conformation, TBioWorld *bw) Initializes a world form a biomolecule. Definition: bioworld.c:1394 A table of parameters. void CreateFileName(char *path, char *name, char *suffix, char *ext, Tfilename *fn) Constructor. Definition: filename.c:22 A bridge between world structures and biological information. void InitParametersFromFile(char *file, Tparameters *p) Constructor from a file. Definition: parameters.c:51 char * GetFileFullName(Tfilename *fn) Gets the file full name (paht+name+extension). Definition: filename.c:151 boolean InitWorldFromFile(Tparameters *p, boolean error, char *fn, Tworld *w) Constructor. #define NO_UINT Used to denote an identifier that has not been initialized. Definition: defines.h:435 void GetBoxCenter(boolean *used, double *c, Tbox *b) Returns the box center along the selected dimensions. Definition: box.c:721 Definition of the Tparameters type and the associated functions. double WorldPotentialEnergy(Tparameters *p, boolean simp, double *sol, void *w) Evaluates the potential energy of a configuration. Definition: world.c:2680 boolean Advance(Titerator *i) Moves an iterator to the next position of its associated list. Definition: list.c:373 |
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