Changeset 1962 for branches/blt4/gui


Ignore:
Timestamp:
Nov 17, 2010 8:22:44 AM (13 years ago)
Author:
gah
Message:

add unit cell to molvisviewer

File:
1 edited

Legend:

Unmodified
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  • branches/blt4/gui/scripts/molvisviewer.tcl

    r1961 r1962  
    20622062        error "bad number of vectors supplied to parallelepiped"
    20632063    }
     2064    point0 set { 0.0 0.0 0.0 }
     2065    point4 expr {point2 + point1}
     2066    point5 expr {point4 + point3}
     2067    point6 expr {point2 + point3}
     2068    point7 expr {point1 + point3}
     2069
    20642070    set values [$dataobj get components.parallelepiped.scale]
    20652071    set n [llength $values]
     
    20832089        origin set $values
    20842090    }
    2085     point0 set { 0.0 0.0 0.0 }
    2086     point4 expr {point2 + point1}
    2087     point5 expr {point4 + point3}
    2088     point6 expr {point2 + point3}
    2089     point7 expr {point1 + point3}
     2091
     2092    # Scale and translate points
     2093    for { set i 0 } { $i < 8 } { incr i } {
     2094        point${i} expr "(point${i} * scale) + origin"
     2095    }
    20902096
    20912097    # Generate vertices as a string for PyMOL
    20922098    set vertices ""
    2093     blt::vector x
    20942099    foreach n { 0 1 0 2 0 3 1 4 2 4 2 6 1 7 3 7 5 7 4 5 3 6 5 } {
    2095         x expr "(point${n} * scale) + origin"
    2096         set values [x values]
     2100        set values [point${n} values]
    20972101        append vertices "\[ [join $values {, }] \], \\\n"
    20982102    }
    2099     x expr "(point6 * scale) + origin"
    2100     set values [x values]
     2103    set values [point6 values]
    21012104    append vertices "\[ [join $values {, }] \]  \\\n"
    21022105    blt::vector destroy point0 point1 point2 point3 point4 point5 point6 \
    2103         point7 x origin scale
     2106        point7 origin scale
    21042107    return $vertices
    21052108}
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