sci-chemistry/molrep/files/11.0.00-test.patch

diff --git a/molrep_check/em.bat b/molrep_check/em.bat
index 2f0f992..96ddd75 100755
--- a/molrep_check/em.bat
+++ b/molrep_check/em.bat
@@ -8,6 +8,8 @@ $MR_TEST/molrep -m ../em/model.pdb -f ../em/pel.map -po out/ -ps scr/ -i <<stop
 # --------------------------------
 _NMON  6
 stop
+echo $?
+[[ $? ]] || exit 1
 # --------------------------------
 #
 # 2. Atomic model --> EM map
@@ -20,6 +22,7 @@ $MR_TEST/molrep -m ../em/model.pdb -f ../em/pel.map -po out/ -ps scr/ -i <<stop
 _NMON  6
 _prf  y
 stop
+[[ $? ]] || exit 1
 # --------------------------------
 #
 # 3. Atomic model --> EM map
@@ -36,6 +39,7 @@ _ncs  322
 _centre  0.500 0.490 0.490
 _angles  0.0 0.0 90.0  
 stop
+[[ $? ]] || exit 1
 # --------------------------------
 #
 cp out/molrep.pdb hexamer.pdb
@@ -52,6 +56,7 @@ $MR_TEST/molrep -mx hexamer.pdb -f ../em/pel.map -po out/ -ps scr/ -i <<stop
 # --------------------------------
 _DOM s
 stop
+[[ $? ]] || exit 1
 # --------------------------------
 #
 # 5. EM --> X-ray     
@@ -60,6 +65,7 @@ stop
 $MR_TEST/molrep -f ../em/p2.cif  -m ../em/pel.map -po out/ -ps scr/ -i <<stop
 # --------------------------------
 stop
+[[ $? ]] || exit 1
 # --------------------------------
 #
 # 6. Placing  the model to a particular orientation and position.
@@ -72,4 +78,5 @@ $MR_TEST/molrep -f ../em/p2.cif  -m ../em/pel.map -po out/ -ps scr/ -i <<stop
 _fun  s
 _file_t ../em/tab
 stop
+[[ $? ]] || exit 1
 #==========================================
diff --git a/molrep_check/mr.bat b/molrep_check/mr.bat
index 284a4cd..6e00695 100755
--- a/molrep_check/mr.bat
+++ b/molrep_check/mr.bat
@@ -10,6 +10,7 @@
 $MR_TEST/molrep -f ../data/test.mtz -m ../data/test_mod.pdb -po out/ -ps scr/ -i <<stop
 # --------------------------------
 stop
+[[ $? ]] || exit 1
 #
 # =================================================================
 #
@@ -26,6 +27,7 @@ _nmon   2
 _COMPL  .5
 _SIM    .7
 stop
+[[ $? ]] || exit 1
 #
 # =================================================================
 #
@@ -46,6 +48,7 @@ $MR_TEST/molrep -f ../data/test.cif -m ../data/test_mod.pdb -mx ../data/test_mod
 # --------------------------------
 _NP    3
 stop
+[[ $? ]] || exit 1
 #
 # =================================================================
 #
@@ -67,6 +70,7 @@ $MR_TEST/molrep -f ../data/test.cif -m ../data/test_mod.pdb -po out/ -ps scr/ -i
 _NMON   2
 _NP     3
 stop
+[[ $? ]] || exit 1
 #
 # =================================================================
 #
@@ -85,6 +89,7 @@ _NPT    3
 _NPTD   3
 _DYAD   D
 stop
+[[ $? ]] || exit 1
 #
 # =================================================================
 #
@@ -103,6 +108,7 @@ _NP    3
 _NPT   10
 _NMR   3
 stop
+[[ $? ]] || exit 1
 #
 # =================================================================
 #
@@ -118,6 +124,7 @@ _PRF Y
 _compl 1.
 _sim   .2
 stop
+[[ $? ]] || exit 1
 #
 # =================================================================
 #
@@ -136,6 +143,7 @@ _ph   PH
 _fom  FOM
 #
 stop
+[[ $? ]] || exit 1
 # =================================================================
 #
 #   9. use sequence
@@ -145,6 +153,7 @@ stop
 $MR_TEST/molrep -f ../data/s100.mtz -m ../data/monomer.pdb -s ../data/s100.seq -po out/ -ps scr/ -i <<stop 
 # --------------------------------
 stop
+[[ $? ]] || exit 1
 # =================================================================
 #
 #   10. Locked RF
@@ -157,6 +166,7 @@ _lock y
 _file_tsrf ../data/srf.tab
 _nsrf 1
 stop
+[[ $? ]] || exit 1
 # =================================================================
 #
 #   11. Multi-monomer search using NCS, SELF = 'A' means to compute Self RF and 
@@ -169,6 +179,7 @@ $MR_TEST/molrep -f ../data/s100.mtz -m ../data/monomer.pdb -m2 ../data/monomer.p
 _self a
 _nsrf 1
 stop
+[[ $? ]] || exit 1
 # =================================================================
 #
 #   12.  use pst
@@ -179,6 +190,7 @@ $MR_TEST/molrep -f ../data/pst.mtz -m ../data/model_pst.pdb -po out/ -ps scr/ -i
 # --------------------------------
 #
 stop
+[[ $? ]] || exit 1
 # =================================================================
 #
 #   13. space group check
@@ -189,7 +201,8 @@ $MR_TEST/molrep -f ../data/test.mtz -m ../data/test_mod.pdb -po out/ -ps scr/ -i
 # --------------------------------
 _sg all
 #
-stop
+s[[ $? ]] || exit 1
+top
 # ==========================================================
 #  
 #  14. Example for finding HA position by MR solution.
@@ -206,6 +219,7 @@ _SIGFD  SIGFD3
 #
 _FUN   d
 stop
+[[ $? ]] || exit 1
 # ==========================================================
 #  
 #  15. Example for HA search by multi-copy search
@@ -225,6 +239,7 @@ _diff h
 _dyad y
 _nmon 4
 stop
+[[ $? ]] || exit 1
 # ==========================================================
 #  
 #  16. Example HA for search by translation function
@@ -242,6 +257,7 @@ _FUN  t
 _diff  h
 _nmon  4
 stop
+[[ $? ]] || exit 1
 # ==========================================================
 #  
 #  17. Example for Self RF for Heavy Atom structure in derivative.
@@ -258,4 +274,5 @@ _SIGFD  SIGFD3
 _FUN  r
 _diff  h
 stop
+[[ $? ]] || exit 1
 # ==========================================================