update guide and interface for changes in POLEDIT

Author: jayponder

doc/tinker-guide.pdf

@@ -5,9 +5,8 @@
 #ifdef __cplusplus
 extern "C" {
 #endif
-#define TINKER_MOD__maxkey 25000
 extern int TINKER_MOD(keys, nkey);
-extern char TINKER_MOD(keys, keyline)[TINKER_MOD__maxkey][240];
+extern char (*TINKER_MOD(keys, keyline))[240];
 #ifdef __cplusplus
 }
 #endif

interface/c/tinker/detail/keys.hh

@@ -16,6 +16,7 @@ extern double* TINKER_MOD(ktrtor, tbf);
 extern double* TINKER_MOD(ktrtor, tbx);
 extern double* TINKER_MOD(ktrtor, tby);
 extern double* TINKER_MOD(ktrtor, tbxy);
+extern char (*TINKER_MOD(ktrtor, ttier))[3];
 extern char (*TINKER_MOD(ktrtor, ktt))[20];
 #ifdef __cplusplus
 }

interface/c/tinker/detail/ktrtor.hh

@@ -5,9 +5,8 @@
 #ifdef __cplusplus
 extern "C" {
 #endif
-#define TINKER_MOD__maxprm 25000
 extern int TINKER_MOD(params, nprm);
-extern char TINKER_MOD(params, prmline)[TINKER_MOD__maxprm][240];
+extern char (*TINKER_MOD(params, prmline))[240];
 #ifdef __cplusplus
 }
 #endif

interface/c/tinker/detail/params.hh

@@ -3,15 +3,14 @@
 #include "macro.hh"
 
 namespace tinker { namespace keys {
-const int maxkey = 25000;
 extern int& nkey;
-extern char (&keyline)[maxkey][240];
+extern char (*&keyline)[240];
 
 #ifdef TINKER_FORTRAN_MODULE_CPP
 extern "C" int TINKER_MOD(keys, nkey);
-extern "C" char TINKER_MOD(keys, keyline)[maxkey][240];
+extern "C" char (*TINKER_MOD(keys, keyline))[240];
 
 int& nkey = TINKER_MOD(keys, nkey);
-char (&keyline)[maxkey][240] = TINKER_MOD(keys, keyline);
+char (*&keyline)[240] = TINKER_MOD(keys, keyline);
 #endif
 } }

interface/cpp/tinker/detail/keys.hh

@@ -14,6 +14,7 @@ extern double*& tbf;
 extern double*& tbx;
 extern double*& tby;
 extern double*& tbxy;
+extern char (*&ttier)[3];
 extern char (*&ktt)[20];
 
 #ifdef TINKER_FORTRAN_MODULE_CPP
@@ -26,6 +27,7 @@ extern "C" double* TINKER_MOD(ktrtor, tbf);
 extern "C" double* TINKER_MOD(ktrtor, tbx);
 extern "C" double* TINKER_MOD(ktrtor, tby);
 extern "C" double* TINKER_MOD(ktrtor, tbxy);
+extern "C" char (*TINKER_MOD(ktrtor, ttier))[3];
 extern "C" char (*TINKER_MOD(ktrtor, ktt))[20];
 
 int& maxntt = TINKER_MOD(ktrtor, maxntt);
@@ -37,6 +39,7 @@ double*& tbf = TINKER_MOD(ktrtor, tbf);
 double*& tbx = TINKER_MOD(ktrtor, tbx);
 double*& tby = TINKER_MOD(ktrtor, tby);
 double*& tbxy = TINKER_MOD(ktrtor, tbxy);
+char (*&ttier)[3] = TINKER_MOD(ktrtor, ttier);
 char (*&ktt)[20] = TINKER_MOD(ktrtor, ktt);
 #endif
 } }

interface/cpp/tinker/detail/ktrtor.hh

@@ -3,15 +3,14 @@
 #include "macro.hh"
 
 namespace tinker { namespace params {
-const int maxprm = 25000;
 extern int& nprm;
-extern char (&prmline)[maxprm][240];
+extern char (*&prmline)[240];
 
 #ifdef TINKER_FORTRAN_MODULE_CPP
 extern "C" int TINKER_MOD(params, nprm);
-extern "C" char TINKER_MOD(params, prmline)[maxprm][240];
+extern "C" char (*TINKER_MOD(params, prmline))[240];
 
 int& nprm = TINKER_MOD(params, nprm);
-char (&prmline)[maxprm][240] = TINKER_MOD(params, prmline);
+char (*&prmline)[240] = TINKER_MOD(params, prmline);
 #endif
 } }