Recipe: untrim

created by LociOiling

Profile

• Name: untrim
• ID: 108774
• Shared with: Public
• Parent: None
• Children: None
• Created on: July 19, 2024 at 15:56 PM UTC
• Updated on: July 19, 2024 at 15:58 PM UTC
• Description:

  Quick demo of the structure.UntrimPose function. The function can throw an error, to the demo uses pcall () to catch it.

Code

--[[

    untrim - quick demo of structure.UntrimPose

    use pcall to catch errors which otherwise end the recipe

    LociOiling 20240719

]]--
--
--  ParseError -- common routine used by safe functions
--
function ParseError ( errmsg )
    local reason
    local start, stop, line, msg
    start, stop, line, msg = errmsg:find ( ":(%d+):%s()" )
    if msg ~= nil then
        errmsg = errmsg:sub ( msg, #errmsg )
    end
    return errmsg    
end
--
--  SafeUntrim uses pcall
--  to call structure.UntrimPose, returning
--  a numeric return code and an error message.
--
--  The return codes are:
--
--     0 - successful, error message is nil
--    -1 - pose wasn't trimmed
--  -999 - other error
--
function SafeUntrim ()
--
    local BADTRIM = "Cannot untrim pose that isn't trimmed."
--
    local good, errmsg = pcall ( structure.UntrimPose )
    if good then
        return 0, nil
    else
        local err2 = ParseError ( errmsg )
        local errp = err2:find ( BADTRIM )
        if errp ~= nil then
            return -1, err2
        end
        return -999, err2
    end
end

print ( "untrim demo" )

startsegs = structure.GetCount ()
print ( "before untrim, segment count = " .. startsegs )

local rc,trimerr = SafeUntrim ()
if rc ~= 0 then 
    print ( "untrim error: \"" .. trimerr .. "\"" ) 
end

untrimsegs = structure.GetCount ()
print ( "after untrim, segment count = " .. untrimsegs )

if untrimsegs == startsegs then
    print ( "untrim didn't change segment count" )
    if rc == -1 then 
        print ( "protein was not trimmed" )
    elseif rc ~= 0 then
        print ( "unknown error" )
    end
end