Change t_extmass pointers to std::vector

[alexxy/gromacs.git] / src / gromacs / mdtypes / state.h

diff --git a/src/gromacs/mdtypes/state.h b/src/gromacs/mdtypes/state.h
index 1516daac57f390b6a9eb3ce6d77f82def066e41f..a0885cf996e29a0d25177f5251b14438756cd924 100644 (file)
--- a/src/gromacs/mdtypes/state.h
+++ b/src/gromacs/mdtypes/state.h
@@ -233,13 +233,13 @@ class t_state
  * TODO: Move the next two structs out of state.h.
  */
 
-typedef struct t_extmass
+struct t_extmass
 {
-    double *Qinv;  /* inverse mass of thermostat -- computed from inputs, but a good place to store */
-    double *QPinv; /* inverse mass of thermostat for barostat -- computed from inputs, but a good place to store */
-    double  Winv;  /* Pressure mass inverse -- computed, not input, but a good place to store. Need to make a matrix later */
-    tensor  Winvm; /* inverse pressure mass tensor, computed       */
-} t_extmass;
+    std::vector<double> Qinv;  /* inverse mass of thermostat -- computed from inputs, but a good place to store */
+    std::vector<double> QPinv; /* inverse mass of thermostat for barostat -- computed from inputs, but a good place to store */
+    double              Winv;  /* Pressure mass inverse -- computed, not input, but a good place to store. Need to make a matrix later */
+    tensor              Winvm; /* inverse pressure mass tensor, computed       */
+};
 
 
 typedef struct