From 7d62fc765adc11bbcb7db0716ac5dc19145dca80 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sun, 15 Jun 2014 10:58:40 +0000
Subject: [PATCH] To be sure a fix in comparing the floating point numbers
---
src/general.h | 53 +++++++++++++++++++++++++++++++++++++++++++++++++----
1 files changed, 49 insertions(+), 4 deletions(-)
diff --git a/src/general.h b/src/general.h
index 26e8b55..43f9274 100644
--- a/src/general.h
+++ b/src/general.h
@@ -3,6 +3,7 @@
#include<stdarg.h>
#include<stdio.h>
+#include<gsl/gsl_complex.h>
/* @brief This is a header file, defining general constants and structures.
* @file header.h
* @author Samo Penic
@@ -47,6 +48,8 @@
#define TS_FAIL 1
/* CONSTANTS */
+
+#define TS_ID_FILAMENT 1
/* DATA TYPES */
/** @brief Sets the default datatype for ts_double
@@ -125,6 +128,12 @@
ts_uint coord_type;
} ts_coord;
+
+typedef struct {
+ ts_uint n;
+ ts_coord **coord;
+} ts_coord_list;
+
/** @brief Data structure of all data connected to a vertex
*
* ts_vertex holds the data for one single point (bead, vertex). To understand how to use it
@@ -166,10 +175,11 @@
ts_uint idx;
ts_vertex *vtx1;
ts_vertex *vtx2;
- ts_double bond_length;
- ts_double bond_length_dual;
- ts_bool tainted;
+ ts_double bond_length;
+ ts_double bond_length_dual;
+ ts_bool tainted; //TODO: remove
ts_double energy;
+ ts_double x,y,z;
};
typedef struct ts_bond ts_bond;
@@ -212,12 +222,14 @@
ts_double dcell;
ts_double shift;
ts_double max_occupancy;
+ ts_double dmin_interspecies;
} ts_cell_list;
typedef struct {
ts_uint l;
ts_double **ulm;
+ gsl_complex **ulmComplex;
ts_double **sumUlm2;
ts_uint N;
ts_double **co;
@@ -243,6 +255,39 @@
+typedef struct {
+ long int nshell;
+ long int ncxmax;
+ long int ncymax;
+ long int nczmax;
+ long int npoly;
+ long int nmono;
+ long int nfil;
+ long int nfono;
+ long int R_nucleus;
+ long int pswitch;
+ long int constvolswitch;
+ ts_double constvolprecision;
+ char *multiprocessing;
+ long int brezveze0;
+ long int brezveze1;
+ long int brezveze2;
+ ts_double xk0;
+ ts_double dmax;
+ ts_double dmin_interspecies;
+ ts_double stepsize;
+ ts_double kspring;
+ ts_double xi;
+ ts_double pressure;
+ long int iterations;
+ long int inititer;
+ long int mcsweeps;
+ long int quiet;
+ long int shc;
+} ts_tape;
+
+
+
typedef struct {
ts_vertex_list *vlist;
@@ -264,7 +309,7 @@
ts_double spring_constant;
ts_double pressure;
ts_int pswitch;
-
+ ts_tape *tape;
ts_double R_nucleus;
} ts_vesicle;
--
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