70extern G_MODULE_EXPORT
void set_color_map (GtkWidget * widg, gpointer data);
76extern G_MODULE_EXPORT gboolean
edit_tab (GtkWidget * widget, GdkEvent * event, gpointer fdata);
78extern G_MODULE_EXPORT gboolean
edit_tab (GtkWidget * widget, GdkEventButton * event, gpointer fdata);
94extern void debugiocurve (
project * this_proj, gboolean win,
int rid,
int cid, gchar * iost);
int save_lmp_field_data(FILE *fp, project *this_proj)
save LAMMPS force field data to file
int save_project(FILE *fp, project *this_proj, int wid)
save project to file
void hide_current_project(project *to_hide)
int save_bonding(FILE *fp, project *this_proj)
save bonding information to file
int read_dlp_field_data(FILE *fp, project *this_proj)
read force field data from file
void close_project(project *to_close)
close a project
gchar * read_this_string(FILE *fp)
is there a string to read in this file ? yes do it
int num_bonds(int i)
number of distinct pair(s) of atoms in selection
void debugioproj(project *this_proj, gchar *iost)
debug project info
int open_project(FILE *fp, int wid)
open atomes project file
int read_mol(FILE *fp)
read molecule(s) information from file
void init_curves_and_calc(project *this_proj)
for a project reset analysis, curves, data to not performed
void opengl_project_changed(int id)
change the OpenGL project
int save_atom_a(FILE *fp, project *this_proj, int s, int a)
save atom data to file (a)
void update_insert_combos()
update some GtkComboBox in the workspace if a project is removed
void restore_color_map(glwin *view, int *colm)
restore saved color maps
int save_this_string(FILE *fp, gchar *string)
save string to file
G_MODULE_EXPORT gboolean edit_tab(GtkWidget *widget, GdkEventButton *event, gpointer fdata)
int num_dihedrals(int i)
number of distinct quadruplet(s) of atoms in selection
int read_lmp_field_data(FILE *fp, project *this_proj)
read LAMMPS field data from file
int save_project_curve(FILE *fp, int wid, project *this_proj, int rid, int cid)
save project curve to file
int save_opengl_image(FILE *fp, project *this_proj, image *img, int sid)
save OpenGL image properties to file
int * save_color_map(glwin *view)
save atoms and polyhedra color maps
int save_cp2k_data(FILE *fp, int cid, project *this_proj)
save CP2K data to file
int read_atom_b(FILE *fp, project *this_proj, int s, int a)
read atom properties from file (b)
gboolean setup_custom_color_map(float *data, project *this_proj, gboolean init)
prepare the custom color map data
void active_project_changed(int id)
change the active project
void debugiocurve(project *this_proj, gboolean win, int rid, int cid, gchar *iost)
debug and print some info about the curves in a project
int read_project_curve(FILE *fp, int wid, int pid)
read a project curve from file
void clean_view()
clean the main window
void to_close_this_project(int to_activate, project *this_proj)
to close this project
int read_opengl_image(FILE *fp, project *this_proj, image *img, int sid)
read OpenGL image properties from file
int num_angles(int i)
number of distinct triplet(s) of atoms in selection
int save_mol(FILE *fp, project *this_proj)
save molecule information to file
int save_dlp_field_data(FILE *fp, project *this_proj)
save force field data to file
int update_project()
update project: send data to Fortran90, and update calculation interactors
void view_buffer(GtkTextBuffer *buffer)
set a text buffer in the main window or an image
int save_cpmd_data(FILE *fp, int cid, project *this_proj)
save CPMD data to file
G_MODULE_EXPORT void on_close_activate(GtkWidget *widg, gpointer cdata)
signal to close a project
void alloc_proj_data(project *this_proj, int cid)
allocate data
int read_cpmd_data(FILE *fp, int cid, project *this_proj)
read CPMD data from file
int read_atom_a(FILE *fp, project *this_proj, int s, int a)
read atom properties from file (a)
G_MODULE_EXPORT void set_color_map(GtkWidget *widg, gpointer data)
set color map callback
colormap * allocate_color_map(int pts, project *this_proj)
allocate custom color map data
int read_bonding(FILE *fp)
read bonding information from file
int read_cp2k_data(FILE *fp, int cid, project *this_proj)
read CP2K data from file
void init_project(gboolean alloc_box)
initialize a new project