unix - Tcl 错误 : wrong # args: should be "set varName ?newValue?"

Question

我尝试运行以下 Tcl 脚本并收到错误:错误 # args: should be "set varName ?newValue?"

这是什么意思？

注意:该脚本包含特定于 VMD 程序的术语，例如 mol 和 resid。请忽略它们。

#count water molecules between chain A and chain C or between #chain B and chain C


set input_file [open ./name_3_pdb_chain_renamed.dat r]

set data [read $input_file]
set data [split $data "\n"]
close $input_file

set chain_list [lindex $data 0]

cd 7_count_water

set outfile [open count_water3.dat w]


set chain_compare ""

set pdblen [llength $chain_list]

for {set i 0} {$i<$pdblen} {incr i} {
    set pid [lindex [lindex $chain_list $i] 0]

    set len [llength [lindex $chain_list $i]]

    mol load pdb ../2_chain_rename/${pid}_chain_revised.pdb


    mol modstyle 0 top NewCartoon



    if {$len==4} {
        set chain_compare [lappend chain_compare $pid]
    }

    set 11 [atomselect top all]

    set mid [$11 molid]

    mol delete $mid
}




set lll [llength $chain_compare]

for {set j 0} {$j< $lll} {incr j} {

    set pid [lindex $chain_compare $j]

    mol load pdb ../2_chain_rename/${pid}_chain_revised.pdb

    set 11 [atomselect top "chain A and name CA"]

    set res_len [llength [$11 get resid]]

    set res_id [$11 get resid]

    #residue length for chain C
    set ag [atomselect top "chain C and name CA"]
    set ag_len [llength [$ag get resid]]
    set ag_id [$ag get resid]


    #loop water between chain A and chain C
    for {set k 0} {$k<$res_len} {incr k} {

        set water_around_a [atomselect top "{resname HOH and {within 5.0 of {chain A and resid [lindex $res_id $k]} and {within 5.0 of chain C}}} "]


        set water_around_a_resid [$water_around_a get resid]
        set water_around_a_resname [$water_around_a get resname]

        #loop antigen residues around water
        for {set g 0} {$g < $ag_len} {incr g} {

          set ag_around_water [atomselect top "{chain C and resid [lindex $ag_id $g] and {within 5.0 of {resname HOH and {within 5.0 of {chain A and resid [lindex $res_id $k]}}}}} "]

            set ag_around_water resid [$ag_around_water get resid]

            set ag_around_water_resname [$ag_around_water get resname]


            puts $outfile "$pid [lindex $res_id $k] [lindex [$11 get resname] $k] $ag_around_water_resname A: $water_around_a_resname"
       }
    }



    set b11 [atomselect top "chain B and name CA"]

    set b_res_len [llength [$b11 get resid]]

    set b_res_id [$b11 get resid]

    #residue length for chain C
    set ag [atomselect top "chain C and name CA"]
    set ag_len [llength [$ag get resid]]
    set ag_id [$ag get resid]

    for {set k 0} {$k<$res_len} {incr k} {


        set water_around_b [atomselect top "{resname HOH and {within 5.0 of {chain B and resid [lindex $b_res_id $k]} and {within 5.0 of chain C}}} "]

        set water_around_b_resid [$water_around_b get resid]
        set water_around_b_resname [$water_around_b get resname]

        #loop antigen residues around water
        for {set g 0} {$g < $ag_len} {incr g} {

             set ag_around_water [atomselect top "{chain C and resid [lindex $ag_id $g] and {within 5.0 of {resname HOH and {within 5.0 of {chain B and resid [lindex $b_res_id $k]}}}}} "]


            set ag_around_water resid [$ag_around_water get resid]

            set ag_around_water_resname [$ag_around_water get resname]

            puts $outfile "$pid [lindex $b_res_id $k] [lindex [$b11 get resname] $k] $ag_around_water_resname A: $water_around_b_resname"


        }

    }

}


close $outfile

cd ..

谢谢

Answer 1

那条消息:

wrong # args: should be "set varName ?newValue?"

is a standard error thrown when a built-in command gets the wrong number of arguments to evaluate. In this case, it's coming from the set command, and indicates that you've either said set on its own, or given more than two further arguments to it.

If you examine the stack trace (usually printed with the error message when using standard tclsh, though it's changeable with user code) then you'll get told where the problem happened. However, in this case we can look through and see that this line near the bottom of the script:

            set ag_around_water resid [$ag_around_water get resid]

变量名中有一个空格而不是下划线。现在，空格 在变量名中是合法的，但是变量名需要被引用，这会有点烦人。通常最好避免这样使用它们。没有引用，Tcl 不知道那是一个词。通用解析层决定那里确实有四个单词(set、ag_around_water、resid 和复杂的 [$ag_around_water get resid]) 并告诉 set 处理它，它不喜欢。

记住，Tcl 的通用句法解析首先发生，然后命令参数被语义解释。 总是。