[ESPResSo-devel] Bond-deleting strangeness

[Rudolf Weeber]

Hi,

I encountered very strange behaviour when deleting individual bonds from 
particles which have more than one bond.
In some cases, the code works correctly, in some cases, the wrong bond seems to 
be deleted and in some cases, the bond list gets screwed up completely.
The code, which is supposed to delete the bond is in 
particle_data.cpp:try_delete_bond()

The following code illustrates the deletion of a wrong bond.

inter 0 harmonic 1 0
inter 1 angle_harmonic 1 0

part 0 pos 0 0 0
part 1 pos 0 0 0
part 2 pos 0 0 0



part 0 bond 0 1 bond 0 2 
puts "[part 0 print bond]"
{ {0 1} {0 2} } 
part 0 bond delete 0 1
puts "[part 0 print bond]"
{ {0 2} }  # Which is what I expected

puts ""


part 0 bond delete
part 0 bond 0 1 bond 0 2 bond 1 1 2
puts "[part 0 print bond]"
{ {0 1} {0 2} {1 1 2} } 
part 0 bond delete 0 1
puts "[part 0 print bond]"
{ {0 1} {1 1 2} }  # Hm?

Can anyone give me a hint?

Thanks! 
Regards, Rudolf