1) added ctests for xdrf2pdb-m 2) cleanup

[unres.git] / source / xdrfpdb / src / CMakeLists.txt

diff --git a/source/xdrfpdb/src/CMakeLists.txt b/source/xdrfpdb/src/CMakeLists.txt
index 962d7fa..fbe654c 100644 (file)
--- 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 )