[ghemical-devel] Re: Avalanche of Love (Bond Constraints) (fwd)

[Tommi Hassinen]

Ooops, forgot to send this to the list... TH

---------- Forwarded message ----------
Date: Tue, 21 Mar 2006 13:58:01 +0200 (WET)
From: Tommi Hassinen <thassine at messi.uku.fi>
To: Donald Ephraim Curtis <donald-curtis at uiowa.edu>
Subject: Re: Avalanche of Love (Bond Constraints)

> Tommi Hassinen wrote:
>> I think I can add these quite quickly. I hope tomorrow...

Could not make it today, but I'll continue tomorrow. So far I have renamed the 
class constraint to constraint_dst (for distance), so that if we later wish to 
add other types of constraints (ang, tor) it will be easier.

I'm also making the distance constraints a bit more flexible ; instead of a 
single value I'll add two values, a min-distance and a max-distance. Setting 
these different one can constrain atoms to a certain range of distances.

Regards,

 	Tommi