From 7b9f942630f19cca2ac48e1f60ab0093527105a6 Mon Sep 17 00:00:00 2001
From: Roland Schulz <roland@utk.edu>
Date: Sun, 20 Apr 2014 13:56:55 -0400
Subject: [PATCH] Move part of macros.h to grompp-impl.h

Part of #1415.

Change-Id: I360ae1f220b6c51e90edbbe136053fd2e1c0ad5b
---
 src/gromacs/gmxpreprocess/gen_vsite.c    |  1 -
 src/gromacs/gmxpreprocess/genhydro.c     |  1 -
 src/gromacs/gmxpreprocess/gpp_atomtype.c |  1 -
 src/gromacs/gmxpreprocess/gpp_nextnb.c   |  1 -
 src/gromacs/gmxpreprocess/grompp-impl.h  | 22 ++++++++++++++++++++++
 src/gromacs/gmxpreprocess/hackblock.c    |  1 -
 src/gromacs/gmxpreprocess/tomorse.c      |  1 -
 src/gromacs/gmxpreprocess/topshake.c     |  1 -
 src/gromacs/legacyheaders/macros.h       | 16 ----------------
 9 files changed, 22 insertions(+), 23 deletions(-)

diff --git a/src/gromacs/gmxpreprocess/gen_vsite.c b/src/gromacs/gmxpreprocess/gen_vsite.c
index 98414db3e9..a5f06b0c88 100644
--- a/src/gromacs/gmxpreprocess/gen_vsite.c
+++ b/src/gromacs/gmxpreprocess/gen_vsite.c
@@ -54,7 +54,6 @@
 #include "gromacs/utility/futil.h"
 #include "gpp_atomtype.h"
 #include "fflibutil.h"
-#include "macros.h"
 
 #include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/fatalerror.h"
diff --git a/src/gromacs/gmxpreprocess/genhydro.c b/src/gromacs/gmxpreprocess/genhydro.c
index b5a8e831b2..34ff0fc82a 100644
--- a/src/gromacs/gmxpreprocess/genhydro.c
+++ b/src/gromacs/gmxpreprocess/genhydro.c
@@ -56,7 +56,6 @@
 #include "resall.h"
 #include "pgutil.h"
 #include "network.h"
-#include "macros.h"
 
 static void copy_atom(t_atoms *atoms1, int a1, t_atoms *atoms2, int a2)
 {
diff --git a/src/gromacs/gmxpreprocess/gpp_atomtype.c b/src/gromacs/gmxpreprocess/gpp_atomtype.c
index a44dcb95c1..ca66a1f85c 100644
--- a/src/gromacs/gmxpreprocess/gpp_atomtype.c
+++ b/src/gromacs/gmxpreprocess/gpp_atomtype.c
@@ -42,7 +42,6 @@
 #include <string.h>
 
 #include "gromacs/utility/smalloc.h"
-#include "macros.h"
 #include "topdirs.h"
 #include "toputil.h"
 #include "topdirs.h"
diff --git a/src/gromacs/gmxpreprocess/gpp_nextnb.c b/src/gromacs/gmxpreprocess/gpp_nextnb.c
index 41a026d072..b2dcf122e6 100644
--- a/src/gromacs/gmxpreprocess/gpp_nextnb.c
+++ b/src/gromacs/gmxpreprocess/gpp_nextnb.c
@@ -41,7 +41,6 @@
 
 #include <stdlib.h>
 
-#include "macros.h"
 /* #define DEBUG_NNB */
 #include "gpp_nextnb.h"
 #include "toputil.h"
diff --git a/src/gromacs/gmxpreprocess/grompp-impl.h b/src/gromacs/gmxpreprocess/grompp-impl.h
index 8e0cef6d7e..da1f4d9bb1 100644
--- a/src/gromacs/gmxpreprocess/grompp-impl.h
+++ b/src/gromacs/gmxpreprocess/grompp-impl.h
@@ -54,6 +54,28 @@ typedef struct {
  * non-bonded parameter combinations, which will be copied to t_params.
  */
 
+#ifndef __cplusplus
+/*
+ * With the macros below you don't
+ * have to use an index if you don't wan't to. You can eg. use
+ * param.C0 instead of param.c[0].
+ * In a similar fashion, you can use param.AI instead of
+ * param.a[0]
+ *
+ * For C++ those should be replaced with member functions.
+ */
+
+#define AI  a[0]
+#define AJ  a[1]
+#define AK  a[2]
+#define AL  a[3]
+#define AM  a[4]
+
+#define C0  c[0]
+#define C1  c[1]
+#define C2  c[2]
+#endif
+
 typedef struct {
     atom_id    a[MAXATOMLIST];   /* The atom list (eg. bonds: particle	*/
     /* i = a[0] (AI), j = a[1] (AJ))	*/
diff --git a/src/gromacs/gmxpreprocess/hackblock.c b/src/gromacs/gmxpreprocess/hackblock.c
index 4d576a1651..e65a8d9b80 100644
--- a/src/gromacs/gmxpreprocess/hackblock.c
+++ b/src/gromacs/gmxpreprocess/hackblock.c
@@ -43,7 +43,6 @@
 #include "hackblock.h"
 #include "gromacs/utility/smalloc.h"
 #include "gromacs/math/vec.h"
-#include "macros.h"
 
 /* these MUST correspond to the enum in hackblock.h */
 const char *btsNames[ebtsNR] = { "bonds", "angles", "dihedrals", "impropers", "exclusions", "cmap" };
diff --git a/src/gromacs/gmxpreprocess/tomorse.c b/src/gromacs/gmxpreprocess/tomorse.c
index 330616115f..abab6f87fe 100644
--- a/src/gromacs/gmxpreprocess/tomorse.c
+++ b/src/gromacs/gmxpreprocess/tomorse.c
@@ -52,7 +52,6 @@
 #include "toputil.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gpp_atomtype.h"
-#include "macros.h"
 
 #include "tomorse.h"
 
diff --git a/src/gromacs/gmxpreprocess/topshake.c b/src/gromacs/gmxpreprocess/topshake.c
index 56bc0c55bf..b19f76e45f 100644
--- a/src/gromacs/gmxpreprocess/topshake.c
+++ b/src/gromacs/gmxpreprocess/topshake.c
@@ -43,7 +43,6 @@
 #include <math.h>
 
 #include "physics.h"
-#include "macros.h"
 #include "readir.h"
 #include "typedefs.h"
 #include "topshake.h"
diff --git a/src/gromacs/legacyheaders/macros.h b/src/gromacs/legacyheaders/macros.h
index fb8f022ec0..4d7a04763a 100644
--- a/src/gromacs/legacyheaders/macros.h
+++ b/src/gromacs/legacyheaders/macros.h
@@ -40,25 +40,9 @@
 
 /* no extern "C" for this header because it only defines Macros */
 
-/*
- * With the macros below you don't
- * have to use an index if you don't wan't to. You can eg. use
- * angle.C0[23] instead if angle.c[0][23].
- * In a similar fashion, you can use angle.AI[3] instead of
- * angle.a[0][3]
- */
 #ifndef __cplusplus
 #include <stdlib.h>
 
-#define AI  a[0]
-#define AJ  a[1]
-#define AK  a[2]
-#define AL  a[3]
-#define AM  a[4]
-#define C0  c[0]
-#define C1  c[1]
-#define C2  c[2]
-
 #ifndef min
 #define min(a, b) (((a) < (b)) ? (a) : (b) )
 #endif
-- 
2.22.0