Changeset 6640 for trunk/gui/scripts
- Timestamp:
- Nov 15, 2016, 2:09:59 PM (8 years ago)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
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trunk/gui/scripts/molvisviewer.tcl
r6052 r6640 910 910 set serial 1 911 911 912 if { $_reportClientInfo } {913 set parent [$dataobj parent -as object]914 while { $parent != "" } {915 set xmlobj $parent916 set parent [$parent parent -as object]917 }918 set info {}919 lappend info "tool_id" [$xmlobj get tool.id]920 lappend info "tool_name" [$xmlobj get tool.name]921 lappend info "tool_title" [$xmlobj get tool.title]922 lappend info "tool_command" [$xmlobj get tool.execute]923 lappend info "tool_revision" \924 [$xmlobj get tool.version.application.revision]925 SendCmd "clientinfo [list $info]"926 }927 912 foreach _atom [$dataobj children -type atom components.molecule] { 928 913 set symbol [$dataobj get components.molecule.$_atom.symbol] … … 946 931 incr serial 947 932 } 933 if { $_reportClientInfo } { 934 set parent [$dataobj parent -as object] 935 while { $parent != "" } { 936 set xmlobj $parent 937 set parent [$parent parent -as object] 938 } 939 } 948 940 if {"" != $data1} { 949 941 # Save the PDB data in case the user wants to later save it. 950 942 set _pdbdata $data1 951 943 set numBytes [string length $data1] 944 945 if { $_reportClientInfo } { 946 set info {} 947 lappend info "tool_id" [$xmlobj get tool.id] 948 lappend info "tool_name" [$xmlobj get tool.name] 949 lappend info "tool_title" [$xmlobj get tool.title] 950 lappend info "tool_command" [$xmlobj get tool.execute] 951 lappend info "tool_revision" \ 952 [$xmlobj get tool.version.application.revision] 953 lappend info "dataset_type" "molecule-xml" 954 lappend info "dataset_size" $numBytes 955 lappend info "dataset_tag" $model-$state 956 SendCmd "clientinfo [list $info]" 957 } 952 958 953 959 # We know we're buffered here, so append the "loadpdb" command … … 964 970 set numBytes [string length $data2] 965 971 972 if { $_reportClientInfo } { 973 set info {} 974 lappend info "tool_id" [$xmlobj get tool.id] 975 lappend info "tool_name" [$xmlobj get tool.name] 976 lappend info "tool_title" [$xmlobj get tool.title] 977 lappend info "tool_command" [$xmlobj get tool.execute] 978 lappend info "tool_revision" \ 979 [$xmlobj get tool.version.application.revision] 980 lappend info "dataset_type" "pdb" 981 lappend info "dataset_size" $numBytes 982 lappend info "dataset_tag" $model-$state 983 SendCmd "clientinfo [list $info]" 984 } 985 966 986 # We know we're buffered here, so append the "loadpdb" command 967 987 # with the data payload immediately afterwards. … … 971 991 } 972 992 # lammps dump file overwrites pdb file (change this?) 973 set lammpstypemap [$dataobj get components.molecule.lammpstypemap]974 993 set lammpsdata [$dataobj get components.molecule.lammps] 975 994 if {"" != $lammpsdata} { 995 set lammpstypemap [$dataobj get components.molecule.lammpstypemap] 976 996 set data3 "" 977 997 set modelcount 0 … … 1013 1033 set numBytes [string length $data3] 1014 1034 1035 if { $_reportClientInfo } { 1036 set info {} 1037 lappend info "tool_id" [$xmlobj get tool.id] 1038 lappend info "tool_name" [$xmlobj get tool.name] 1039 lappend info "tool_title" [$xmlobj get tool.title] 1040 lappend info "tool_command" [$xmlobj get tool.execute] 1041 lappend info "tool_revision" \ 1042 [$xmlobj get tool.version.application.revision] 1043 lappend info "dataset_type" "lammps" 1044 lappend info "dataset_size" $numBytes 1045 lappend info "dataset_tag" $model-$state 1046 SendCmd "clientinfo [list $info]" 1047 } 1048 1015 1049 # We know we're buffered here, so append the "loadpdb" 1016 1050 # command with the data payload immediately afterwards.
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