> First, be sure you are looking at bob200603, not the preliminary stuff I > put in the trunk.
Yes, I am in bob200603 > I presume that's true with everything I've done, but I > thought I'd make sure that is your reference point. Good. > They are definitely used. The symmetry operations utilize > rotation/translation 4x4 matrices that these points are multiplied by to > give the final point3f. OK > please just leave that. The unity operations described in CIF files are > 1 1 1 -- very clean. It works, trust me. I just didn't need it in the > end. But I want to leave it in there. OK > >> temp.equals(temp2) >> >>will return 'false' when the actual (symbolic) answer is 'true'. >> >>Q: Can we remove this routine? >> >> >> > no OK. But I want to make it clear that I am concerned about doing an 'equals' operation on floating point numbers after they have undergone several floating point operations. This type of operation frequently reflects the naivety of a novice programmer. >>The method setMatrixFromXYZ is parsing a string. >> >>Q: Is there a URL reference that we can introduce that documents the >>syntax for this string? >> >> >> > The URL is at the top of Symmetry.java For me, and for the purposes of documenting the symmetry syntax, I found that URL useless. I was unable to find anything relevant to the syntax for denoting the symmetry. > And you can look in any CIF file. I want to document what the syntax is, not look at some examples and try to divine what it should be. > Basically you can have any readable linear expression in x, y, and z:, > including unary operators and simple fractions, each separated by a > comma from the next: > > x + 0.5, 1/3 + y, -z - 1/2 I am not trying to be a pain in the neck, I just asked for a URL. Miguel ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid0709&bid&3057&dat1642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
