From: Dawid Jagiela <lightnir@chem.univ.gda.pl>
Date: Wed, 27 Jun 2012 13:57:01 +0000 (+0200)
Subject: 1) added ctests for xdrf2pdb-m 2) cleanup
X-Git-Tag: v.3.2~77
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=a0c1a6d3c5bfd023b9c62854d2448e41d35f0a57

1) added ctests for xdrf2pdb-m 2) cleanup
---

diff --git a/ctest/1L2Y_MREMD_MD000.cx b/ctest/1L2Y_MREMD_MD000.cx
new file mode 100644
index 0000000..672858c
Binary files /dev/null and b/ctest/1L2Y_MREMD_MD000.cx differ
diff --git a/ctest/1L2Yone.seq b/ctest/1L2Yone.seq
new file mode 100644
index 0000000..8c76511
--- /dev/null
+++ b/ctest/1L2Yone.seq
@@ -0,0 +1,2 @@
+D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
+SER D
diff --git a/ctest/1L2Ythree.seq b/ctest/1L2Ythree.seq
new file mode 100644
index 0000000..8c76511
--- /dev/null
+++ b/ctest/1L2Ythree.seq
@@ -0,0 +1,2 @@
+D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
+SER D
diff --git a/ctest/1LE1_mremd_MD000.cx b/ctest/1LE1_mremd_MD000.cx
deleted file mode 100644
index 4cabd92..0000000
Binary files a/ctest/1LE1_mremd_MD000.cx and /dev/null differ
diff --git a/ctest/ala10one.seq b/ctest/ala10one.seq
new file mode 100644
index 0000000..da4b697
--- /dev/null
+++ b/ctest/ala10one.seq
@@ -0,0 +1 @@
+XAAAAAAAAAAX
\ No newline at end of file
diff --git a/ctest/ala10three.seq b/ctest/ala10three.seq
new file mode 100644
index 0000000..314f4ba
--- /dev/null
+++ b/ctest/ala10three.seq
@@ -0,0 +1 @@
+D   Ala Ala Ala Ala Ala Ala Ala Ala Ala Ala D  
\ No newline at end of file
diff --git a/source/xdrfpdb/src/CMakeLists.txt b/source/xdrfpdb/src/CMakeLists.txt
index 962d7fa..fbe654c 100644
--- a/source/xdrfpdb/src/CMakeLists.txt
+++ b/source/xdrfpdb/src/CMakeLists.txt
@@ -92,23 +92,34 @@ target_link_libraries( xdrf2ang xdrf )
 
 
 # Create files needed for tests
- 
-file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10one.seq
-"XAAAAAAAAAAX"
-)
 
-file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10three.seq
-"D   Ala Ala Ala Ala Ala Ala Ala Ala Ala Ala D  "
-)
+file(	COPY ${CMAKE_SOURCE_DIR}/ctest/ala10one.seq
+	DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(	COPY ${CMAKE_SOURCE_DIR}/ctest/ala10three.seq 
+	DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(	COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Yone.seq
+	DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+file(	COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Ythree.seq
+	DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
 
 file(	COPY ${CMAKE_SOURCE_DIR}/ctest/ala10MD.cx 
 	DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
 
+file(	COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Y_MREMD_MD000.cx 
+	DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
 
 # Test xdrf2pdb 
 add_test(NAME XDRF2PDB-one   COMMAND xdrf2pdb one ala10one.seq ala10MD.cx )
 add_test(NAME XDRF2PDB-three COMMAND xdrf2pdb three ala10three.seq ala10MD.cx )
 
+# Test xdrf2pdb-m
+add_test(NAME XDRF2PDB-M-one   COMMAND xdrf2pdb-m one 1L2Yone.seq 1L2Y_MREMD_MD000.cx 32 30 )
+add_test(NAME XDRF2PDB-M-three COMMAND xdrf2pdb-m three 1L2Ythree.seq 1L2Y_MREMD_MD000.cx 32 30 )
+
 # Test xdrf2ang
 add_test(NAME XDRF2ANG-one   COMMAND xdrf2ang one ala10one.seq ala10MD.cx )
 add_test(NAME XDRF2ANG-three COMMAND xdrf2ang three ala10three.seq ala10MD.cx )
diff --git a/source/xdrfpdb/src/xdrf/ftocstr.o b/source/xdrfpdb/src/xdrf/ftocstr.o
deleted file mode 100644
index f0102ea..0000000
Binary files a/source/xdrfpdb/src/xdrf/ftocstr.o and /dev/null differ
diff --git a/source/xdrfpdb/src/xdrf/libxdrf.a b/source/xdrfpdb/src/xdrf/libxdrf.a
deleted file mode 100644
index 9afbf43..0000000
Binary files a/source/xdrfpdb/src/xdrf/libxdrf.a and /dev/null differ
diff --git a/source/xdrfpdb/src/xdrf/libxdrf.o b/source/xdrfpdb/src/xdrf/libxdrf.o
deleted file mode 100644
index 1f81ca3..0000000
Binary files a/source/xdrfpdb/src/xdrf/libxdrf.o and /dev/null differ